SCHEMBL2643948

SCHEMBL2643948

NC(=O)c1nnc(C2CC2)s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SMYD3 Q9H7B4 2/20 0.40
PKM P14618 1/20 0.40
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
Hydrochloric Acid SCHEMBL5510469 0.98 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL2774804 0.91 NPC1 (0.48) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2882299 0.90 POLB (0.45) CYP1A2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL8625420 0.79 ALDH1A1 (0.40) CYP1A2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL8840169 0.74 ALDH1A1 (0.50) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11226995 0.72 ALDH1A1 (0.47) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL473007 0.69
Potassium Ion SCHEMBL31705232 0.68 PKM (0.38) CYP1A2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL295263 0.67
SCHEMBL3910069 0.67 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023187182-A1 PYRAZOLOPYRAZINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-05 WO claimed
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US claimed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US claimed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP claimed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US claimed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO claimed
WO-2005095368-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO claimed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed

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

For each of this compound's patents that has machine-readable text (8 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP1A2 385/4885POLB 3619/4885CYP3A4 403/4885
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 CYP1A2 3823/4885POLB 3697/4885CYP3A4 4480/4885
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 CYP1A2 3595/4885POLB 862/4885CYP3A4 3597/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP1A2 385/4885POLB 3619/4885CYP3A4 403/4885
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 CYP1A2 617/4885POLB 2882/4885CYP3A4 1710/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 CYP1A2 3595/4885POLB 862/4885CYP3A4 3597/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 CYP1A2 3823/4885POLB 3697/4885CYP3A4 4480/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG CYP1A2 665/4885POLB 3816/4885CYP3A4 717/4885

“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.