SCHEMBL655428

SCHEMBL655428

NCc1csc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 1.00
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CHRNA7 P36544 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 1/20 0.45
IDO1 P14902 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 1/20 0.44
JUN P05412 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL30830946 1.00 CYP2A6 (1.00) CYP2A6CA1CA2CHRNA7SMN1; SMN2
Hydrochloric Acid SCHEMBL1237491 0.98 CYP2A6 (0.96) CYP2A6CA1CA2CHRNA7SMN1; SMN2
SCHEMBL277679 0.83 CYP2A6 (0.71) CYP2A6CA1CA2CHRNA7SMN1; SMN2
SCHEMBL31547776 0.83 CYP2A6 (0.71) CYP2A6CA1CA2CHRNA7SMN1; SMN2
SCHEMBL3106949 0.83 CYP2A6 (0.70) CYP2A6CA1CA2CHRNA7SMN1; SMN2
Hydrochloric Acid SCHEMBL2967756 0.82 CYP2A6 (0.69) CYP2A6CA1CA2CHRNA7SMN1; SMN2
SCHEMBL5235492 0.80 CYP2A6 (0.67) CYP2A6CA1CA2CHRNA7SMN1; SMN2
SCHEMBL2248829 0.80 CYP2A6 (1.00) CYP2A6CA1CA2CHRNA7SMN1; SMN2
SCHEMBL2792315 0.78 CYP2A6 (0.67) CYP2A6CA1CA2CHRNA7SMN1; SMN2
SCHEMBL18666075 0.78 CYP2A6 (0.67) CYP2A6CA1CA2CHRNA7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117729783-A Tin-based perovskite photovoltaic device and preparation method thereof 苏州大学 2024-03-19 CN claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
EP-1794143-B1 NOVEL BENZO-FUSED HETEROARYL SULFAMIDE DERIVATIVES USEFUL AS ANTICONVULSANT AGENTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP claimed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070293476-A1 CO-THERAPY FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS SMITH-SWINTOSKY VIRGINIA L 2007-12-20 US claimed
WO-2007095613-A2 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES AS NEUROPROTECTIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 WO claimed
WO-2007095608-A2 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASE MODIFICATION OF EPILEPTOGENESIS JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-08-23 WO claimed
WO-2007095609-A2 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-23 WO claimed
US-20070191461-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE SMITH-SWINTOSKY VIRGINIA L 2007-08-16 US claimed
WO-2006020681-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF UBIQUITIN CONJUGATING DISORDERS HYGEIA BIOLOGICAL SYSTEMS (US) 2006-02-23 WO claimed
US-20060035890-A1 Compounds and methods for the treatment of ubiquitin conjugating disorders AMIT BANERJEE 2006-02-16 US claimed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2005-01-13 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 CYP2A6 485/4885CA1 2872/4885CA2 740/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CYP2A6 507/4885CA1 1766/4885CA2 649/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 CYP2A6 1662/4885CA1 4468/4885CA2 4354/4885
US-20070191461-A1 USE OF BENZO-HETEROARYL SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE SULT2A1, CNR2, FAAH2 CYP2A6 658/4885CA1 2640/4885CA2 764/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 CYP2A6 1442/4885CA1 4738/4885CA2 1870/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 CYP2A6 1433/4885CA1 4733/4885CA2 1829/4885
US-20070293476-A1 CO-THERAPY FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS GABBR1, SYNGR2, GABBR2 CYP2A6 272/4885CA1 776/4885CA2 1100/4885

“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.