SCHEMBL9833860

SCHEMBL9833860

O=[N+]([O-])c1ccc(O)c(/N=C/c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.70
▸ MAPT P10636 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ HTT P42858 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ PSMD14 O00487 1/20 0.60
▸ FNTA P49354 1/20 0.50
▸ FNTB P49356 1/20 0.50
▸ G6PD P11413 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ MAOB P27338 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPK1 P28482 2/20 0.48

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
SCHEMBL9833864 1.00 CDK2 (0.70) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL22749158 0.88 CDK2 (0.74) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL18735896 0.86 CDK2 (0.74) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL12443115 0.82 CDK2 (0.58) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL6825490 0.82 CDK2 (0.58) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL15312914 0.81 MEN1 (0.60) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL10118539 0.81 MEN1 (0.60) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL22624828 0.80 CDK2 (0.56) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL13304088 0.80 MAPT (0.55) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL13256735 0.79 MAPT (0.52) CDK2MAPTMEN1KMT2AALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed
WO-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 — — WO disclosed
EP-0283035-B1 BENZOXAZOLE DERIVATIVES AND PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1991-11-06 — — EP disclosed
US-4948900-A INTERMEDIATES FOR DIABETES THERAPEUTIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 — — US disclosed
US-4897393-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1990-01-30 — — US disclosed
EP-0283035-A1 Benzoxazole derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1988-09-21 — — EP 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 (2 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CDK2 2049/4885MAPT 3638/4885MEN1 392/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CDK2 2049/4885MAPT 3638/4885MEN1 392/4885

“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.

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