SCHEMBL623156

SCHEMBL623156

N#Cc1[c]cc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.34
MMP3 P08254 1/20 0.34
ENPP2 Q13822 1/20 0.34
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
CA1 P00915 2/20 0.32
KIF11 P52732 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL27496178 0.73
SCHEMBL2440361 0.73
SCHEMBL1304450 0.73
SCHEMBL16961417 0.73
SCHEMBL351012 0.73
SCHEMBL25220025 0.73
SCHEMBL4171684 0.73
SCHEMBL192616 0.73
SCHEMBL352270 0.73
SCHEMBL3886159 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN claimed
EP-2035420-A2 KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP claimed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US claimed
WO-2008002575-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
WO-2007149873-A2 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO claimed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US claimed
US-20070299062-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-27 US claimed
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP claimed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
US-20240239922-A1 PHOTOCURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-07-18 US disclosed
US-20240191003-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-06-13 US disclosed
US-20240192593-A1 PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-06-13 US disclosed
US-11981794-B2 Curable composition, cured product, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2024-05-14 US disclosed
CN-117999296-A Composition and photosensitive composition 东京应化工业株式会社 2024-05-07 CN disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN disclosed
EP-0275501-B1 PROCESS FOR THE PREPARATION OF (Z)-2-(2-ARYLETHENYL)-ARYLCARBOXYLIC ACIDS BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
US-4857658-A Preparation of (Z)-2-(2-arylethenyl)arylcarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0275501-A1 Process for the preparation of (Z)-2-(2-arylethenyl)-arylcarboxylic acids BASF Aktiengesellschaft (DE) 1988-07-27 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 (4 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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 CA2 1280/4885CYP2A6 2199/4885ALDH1A1 455/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 CA2 1070/4885CYP2A6 710/4885ALDH1A1 888/4885
US-20070299062-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R CA2 3162/4885CYP2A6 1065/4885ALDH1A1 3013/4885
US-20240192593-A1 PHOTOSENSITIVE COMPOSITION PPOX, ERCC1, ERCC5 CA2 1837/4885CYP2A6 3568/4885ALDH1A1 1414/4885

“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.