SCHEMBL4967448

SCHEMBL4967448

N#CC=CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.41
IDO1 P14902 2/20 0.40
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CTSD P07339 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 3/20 0.36
ALOX12 P18054 2/20 0.36
PTGS2 P35354 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL4967442 1.00 ALDH1A1 (0.46) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL223592 0.79 ALDH1A1 (0.60) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL223591 0.79 ALDH1A1 (0.60) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL11404052 0.77 MAPT (0.47) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL3963294 0.77 CTSD (0.42) ALDH1A1NFKB1NPSR1KMT2AHSD17B10
SCHEMBL3954733 0.76 GAA (0.57) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL6651221 0.74 RAB9A (0.52) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL18779752 0.72 ALDH1A1 (0.52) ALDH1A1NPC1NFKB1RAB9ANFKB2
Benzene SCHEMBL10426584 0.72 ALDH1A1 (0.52) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL6259235 0.72 ALDH1A1 (0.52) ALDH1A1NPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8059591-A None JP disclosed
CN-107922396-B Colony stimulating factor-1 receptor (CSF-1R) inhibitors 建新公司 2022-08-05 CN disclosed
CN-109399991-B Method for preparing telechelic polycarboxylic acid water reducer 江苏博西瑞新材料科技有限公司 2021-03-02 CN disclosed
EP-2643294-B1 AN IMPROVED RILPIVIRINE PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2016-08-24 EP disclosed
US-8952155-B2 Rilpivirine process EMCURE PHARMACEUTICALS LIMITED (IN) 2015-02-10 US disclosed
US-20140275538-A1 RILPIVIRINE PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2014-09-18 US disclosed
EP-2643294-A2 AN IMPROVED RILPIVIRINE PROCESS Emcure Pharmaceuticals Limited (IN) 2013-10-02 EP disclosed
WO-2012143937-A2 AN IMPROVED RILPIVIRINE PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2012-10-26 WO disclosed
WO-2008104474-A1 DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-04 WO disclosed
US-7119095-B2 Pharmaceutically active compounds and methods of use thereof DANA FARBER CANCER INSTITUTE (US) 2006-10-10 US disclosed
WO-2003043979-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF DANA FARBER CANCER INSTITUTE (US) 2003-05-30 WO disclosed
EP-0704429-B1 2-(Aryliminomethyl)-3-(disubstituted amino)acrylonitriles, a process for their preparation and their use BAYER AG (DE) 1998-06-10 EP disclosed
US-5629441-A 2-(arylimino-methyl)-3-dialkylaminoacrylonitriles, a process for their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
US-5629441-A 2-(arylimino-methyl)-3-dialkylaminoacrylonitriles, a process for their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
EP-0704429-A1 2-(Aryliminomethyl)-3-(disubstituted amino)acrylonitriles, a process for their preparation and their use BAYER AG (DE) 1996-04-03 EP disclosed
JP-H0859591-A 2-(ARYLMINO-METHYL)-3-DIALKYLAMINOACRYLONITRILES, THEIR PRODUCTION AND USE THEREOF BAYER AG 1996-03-05 JP disclosed
EP-0018473-B1 PROCESS FOR THE PREPARATION OF BETA-ALKOXY-ACRYLONITRILES, 3-AMINO-ACRYLONITRILES AND 2-CYANO-VINYL ESTERS HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1982-12-29 EP disclosed
US-4319024-A ALKYLATION DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0018473-A1 Process for the preparation of beta-alkoxy-acrylonitriles, 3-amino-acrylonitriles and 2-cyano-vinyl esters HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1980-11-12 EP disclosed
US-4195034-A Process for the manufacture of N-(substituted)-3-aminoacrylonitriles DU PONT OF CANADA LIMITED (CA) 1980-03-25 US 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 (1 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-20140275538-A1 RILPIVIRINE PROCESS IFNAR1, EIF2AK2, NECTIN4 ALDH1A1 526/4885NPC1 1523/4885NFKB1 3162/4885

“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.