SCHEMBL448730

SCHEMBL448730

NCc1ccc2c(c1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.51
DYRK1A Q13627 3/20 0.47
RAB9A P51151 3/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CD274 Q9NZQ7 1/20 0.42
PDE8B O95263 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
KCNH2 Q12809 1/20 0.41

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 SCHEMBL507189 0.98 PRKCI (0.50) PRKCIDYRK1ARAB9AKDM1AMAOA
SCHEMBL18000486 0.89 CTNNB1 (0.46) PRKCIDYRK1ARAB9AKDM1AMAOA
Hydrochloric Acid SCHEMBL21879629 0.87 CTNNB1 (0.44) PRKCIDYRK1ARAB9AKDM1AMAOA
SCHEMBL31614557 0.86 DYRK1A (0.58) PRKCIDYRK1ARAB9ANPC1MAPT
SCHEMBL2773998 0.85 TAAR1 (0.56) PRKCIDYRK1ARAB9AKDM1AMAOA
SCHEMBL31630050 0.85 CHRM2 (0.50) PRKCIDYRK1ACD274KCNH2
SCHEMBL2632210 0.85 CHRM2 (0.50) PRKCIDYRK1ACD274KCNH2
Hydrochloric Acid SCHEMBL3714421 0.84 TAAR1 (0.54) PRKCIDYRK1ARAB9AKDM1AMAOA
SCHEMBL5791799 0.82 PRKCI (0.46) PRKCIDYRK1ARAB9AKDM1AMAOA
SCHEMBL4688762 0.81 PRKCI (0.47) PRKCIDYRK1ARAB9AKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US claimed
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US claimed
CN-101098698-A 5-carboxamido-substituted thiazole derivatives which interact with ion channels, in particular ion channels of the Kv family DEVGEN NV (BE) 2008-01-02 CN claimed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP claimed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 WO 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-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2005-01-13 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
EP-1442034-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS KDR PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 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
WO-2003035644-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS KDR PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-05-01 WO claimed
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
EP-4463452-B1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC (US) 2025-07-30 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
CN-1184423-A Nodulisporic acid derivatives MERCK & CO INC (US) 1998-06-10 CN disclosed
EP-0819000-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (US) 1998-01-21 EP disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 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 (5 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 PRKCI 213/4885DYRK1A 1299/4885RAB9A 810/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PRKCI 345/4885DYRK1A 1578/4885RAB9A 955/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 PRKCI 495/4885DYRK1A 999/4885RAB9A 3809/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 PRKCI 529/4885DYRK1A 1003/4885RAB9A 3804/4885
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 PRKCI 3854/4885DYRK1A 2138/4885RAB9A 1327/4885

“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.