SCHEMBL83731

SCHEMBL83731

CCCCc1ccc(CCCC)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KCNH2 Q12809 1/20 0.42
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SKP2 Q13309 1/20 0.42
STING1 Q86WV6 1/20 0.42
MAPT P10636 4/20 0.41
PDK1 Q15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SNCA P37840 1/20 0.41
KAT2B Q92831 1/20 0.40
ALPG P10696 1/20 0.40
PLK1 P53350 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12107909 0.86 PDK1 (0.43) ALDH1A1TDP1CA2PDK1SNCA
SCHEMBL12708634 0.85 ALDH1A1 (0.50) ALDH1A1TDP1KCNH2CA2SMN1; SMN2
SCHEMBL1025706 0.83 POLB (0.51) ALDH1A1CA2SMN1; SMN2MAPTL3MBTL1
SCHEMBL9513445 0.83 VCAM1 (0.55) ALDH1A1
SCHEMBL2647110 0.83 SKP2 (0.56) ALDH1A1TDP1KCNH2CA2SMN1; SMN2
SCHEMBL11216717 0.83 ALDH1A1 (0.40) ALDH1A1TDP1KCNH2CA2SMN1; SMN2
SCHEMBL8887647 0.83 ALDH1A1 (0.68) ALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL16915551 0.82 TDP1 (0.43) ALDH1A1TDP1KCNH2MAPTPLK1
SCHEMBL30438796 0.82 KCNH2 (0.49) ALDH1A1KCNH2CA2PLK1LMNA
SCHEMBL9671665 0.81 ALDH1A1 (0.40) ALDH1A1TDP1KCNH2PDK1SNCA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS INC. (US) 2012-06-07 US disclosed
US-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS INC. (US) 2012-06-07 US disclosed
US-8129545-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2012-03-06 US disclosed
US-8129545-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2012-03-06 US disclosed
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC. (US) 2011-11-17 US disclosed
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC. (US) 2011-11-17 US disclosed
US-7982048-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2011-07-19 US disclosed
US-7982048-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2011-07-19 US disclosed
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS, INC. 2011-01-27 US disclosed
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS, INC. 2011-01-27 US disclosed
EP-1355638-B1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC (US) 2006-05-03 EP disclosed
US-20060069259-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2006-03-30 US disclosed
US-20050096279-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2005-05-05 US disclosed
US-6855826-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2005-02-15 US disclosed
US-20040110692-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2004-06-10 US disclosed
US-6664420-B2 For therapy of hypertension, type 2 insulin-resistant diabetes mellitus, ecalmpsia and preeclampsia MAGNESIUM DIAGNOSTICS, INC. 2003-12-16 US disclosed
EP-1355638-A2 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES Magnesium Diagnostics, Inc. (US) 2003-10-29 EP disclosed
US-20030040625-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2003-02-27 US disclosed
US-6455734-B1 ADMINISTERING PHENYLGLYCINAMIDE(N-2,4-DIAMYLPENTANOIC ACID AMIDE) AS HYPOTENSIVE AGENTS FOR PROPHYLAXIS OF INSULIN RESISTANCE, ECLAMPSIA AND SENSITIVITY TO BLOOD METAL CONCENTRATIONS MAGNESIUM DIAGNOSTICS, INC. 2002-09-24 US disclosed
WO-2002011714-A2 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS, INC. (US) 2002-02-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040110692-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU ALDH1A1 3725/4885TDP1 2532/4885KCNH2 1081/4885
US-20030040625-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states ECE1, PLPBP, ECE2 ALDH1A1 3850/4885TDP1 2263/4885KCNH2 1086/4885
US-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU ALDH1A1 3725/4885TDP1 2532/4885KCNH2 1081/4885
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU ALDH1A1 3725/4885TDP1 2532/4885KCNH2 1081/4885
US-20060069259-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states ECE1, PLPBP, ECE2 ALDH1A1 3850/4885TDP1 2263/4885KCNH2 1086/4885
US-20050096279-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU ALDH1A1 3725/4885TDP1 2532/4885KCNH2 1081/4885
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES PLPBP, ECE1, MCU ALDH1A1 3725/4885TDP1 2532/4885KCNH2 1081/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.