SCHEMBL820195

SCHEMBL820195

N#CCc1ccccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
CYP19A1 P11511 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
FFAR1 O14842 5/20 0.44
FFAR4 Q5NUL3 2/20 0.44
ESR2 Q92731 1/20 0.41
TSPO P30536 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL30409781 1.00 ALDH1A1 (0.47) ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR
SCHEMBL28463170 0.90 ALDH1A1 (0.46) ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR
SCHEMBL28817550 0.82 ALDH1A1 (0.44) ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR
SCHEMBL4797057 0.82 CYP19A1 (0.43) ALDH1A1CYP19A1SMN1; SMN2TSHRMAPT
SCHEMBL29809738 0.82 ALDH1A1 (0.56) ALDH1A1HPGDTSHRMAPTFFAR1
SCHEMBL1945874 0.82 ALDH1A1 (0.56) ALDH1A1HPGDTSHRMAPTFFAR1
SCHEMBL2153612 0.80 CYP19A1 (0.48) ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR
SCHEMBL2154210 0.80 SMN1; SMN2 (0.49) ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR
SCHEMBL24108195 0.79 ALDH1A1 (0.38) ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR
SCHEMBL24108467 0.79 ALDH1A1 (0.38) ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-20150133628-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2015-05-14 US claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
US-20130123542-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2013-05-16 US claimed
EP-2522688-A1 POLYAMINE AND METHOD FOR PRODUCING THE SAME Rhodia Operations (FR) 2012-11-14 EP claimed
US-20230389414-A1 ORGANIC COMPOUNDS AND USES THEREOF IN ORGANIC ELETRONIC DEVICES Zhejiang Brilliant Optoelectronic Technology Co.,Ltd. (CN) 2023-11-30 US disclosed
CN-111757940-B Microbiological method for producing amides 哥伦比亚有限公司 2023-11-07 CN disclosed
CN-116621764-A Preparation method of 3, 3-dimethyl-6-nitro-1, 3-indoline-2-ketone 南京合巨药业有限公司 2023-08-22 CN disclosed
CN-116199651-A Preparation method of 2- (1-cyanocyclopropyl) -4, 5-dihydrofuran-3-carbonitrile 上海毕得医药科技股份有限公司 2023-06-02 CN disclosed
CN-115724795-A Amino isoquinoline derivative and application thereof 江苏欧威医药有限公司 2023-03-03 CN disclosed
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-5071440-A Azo-methine and indophenol dyes oxyalkylated by ethylene and/or propylene oxide and/or glycidol; acidolysis; cleavage/C-N/ MILLIKEN RESEARCH CORPORATION A CORPORATION OF SSC 1991-12-10 US disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed
EP-0167045-A1 Benzo[c][1,8]naphthyridines, process for their preparation and their use, and compositions containing these compounds Beiersdorf Aktiengesellschaft (DE) 1986-01-08 EP disclosed
US-4369322-A WITH CYANOGEN CHLORIDE DEGUSSA AG (DE) 1983-01-18 US disclosed
US-3962307-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962307-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962307-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3877927-A Herbicidal compositions and methods DU PONT 1975-04-15 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 (2 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-20230389414-A1 ORGANIC COMPOUNDS AND USES THEREOF IN ORGANIC ELETRONIC DEVICES SLCO2B1, SLCO2A1, SLCO1B3 ALDH1A1 245/4885HPGD 2323/4885CYP19A1 43/4885
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 2350/4885HPGD 319/4885CYP19A1 3122/4885

“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.