SCHEMBL3026622

SCHEMBL3026622

N#Cc1ccc([O])cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.42
MAOA P21397 10/20 0.42
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
TRPV4 Q9HBA0 2/20 0.37
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
UPP1 Q16831 1/20 0.35

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
SCHEMBL3027435 0.83 ALDH1A1 (0.61) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL4486770 0.78 TRPV4 (0.57) TRPV4
SCHEMBL17796258 0.78 TSHR (0.48) USP8USP7ALDH1A1KDM4EUSP2
SCHEMBL518867 0.78 TRPV4 (0.57) TRPV4
SCHEMBL17796254 0.78 TSHR (0.48) ALDH1A1KDM4EUSP2TRPV4
SCHEMBL4466578 0.78 TRPV4 (0.43) TRPV4
SCHEMBL8516131 0.78 XDH (0.46) ALDH1A1KDM4EUSP2TRPV4LMNA
SCHEMBL11837307 0.73 AR (0.53) ALDH1A1KDM4EUSP2
SCHEMBL16277098 0.72 ALDH1A1 (0.52) MAOBMAOAALDH1A1KDM4EHTT
SCHEMBL3022943 0.70 TRPV4 (0.32) USP8USP7TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631661-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-11-07 CN disclosed
CN-113454167-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-08-15 CN disclosed
CN-114575144-A Corrosion-resistant degradable antibacterial hemp fiber fishing net and preparation method thereof 东嘉麻棉(常州)有限公司 2022-06-03 CN disclosed
CN-107024834-B Compound and coloring composition 住友化学株式会社 2021-11-23 CN disclosed
CN-113631661-A Coloring composition, compound, color filter and display device 住友化学株式会社 2021-11-09 CN disclosed
CN-113454167-A Coloring composition, compound, color filter and display device 住友化学株式会社 2021-09-28 CN disclosed
CN-113264918-A Coloring composition, compound, color filter and display device 住友化学株式会社 2021-08-17 CN disclosed
EP-3385251-B1 PHTHALONITRILE COMPOUND LG CHEMICAL LTD (KR) 2019-10-09 EP disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors ALLEN DARIN ARTHUR (US) 2003-12-18 US disclosed
US-20030225036-A1 Non-amidine containing protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-12-04 US disclosed
EP-1242366-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-09-25 EP disclosed
US-20020052343-A1 Salicylamides as serine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-05-02 US disclosed
WO-2001044172-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-06-21 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 (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-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors TFPI, HABP2, PLAT MAOB 269/4885MAOA 143/4885USP8 530/4885
US-20030225036-A1 Non-amidine containing protease inhibitors TFPI, SERPINE1, HABP2 MAOB 293/4885MAOA 210/4885USP8 1992/4885
US-20020052343-A1 Salicylamides as serine protease inhibitors TFPI, SERPINE1, HABP2 MAOB 409/4885MAOA 190/4885USP8 419/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAOB 402/4885MAOA 317/4885USP8 4143/4885

“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.