SCHEMBL7030620

SCHEMBL7030620

Cc1ccccc1C(C#N)C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
TSHR P16473 3/20 0.44
ACP3 P15309 1/20 0.41
ACHE P22303 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SGMS2 Q8NHU3 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL10332219 0.82 TSHR (0.40) TSHRALDH1A1LMNASGMS2TRPA1
SCHEMBL29031397 0.81 ESR1 (0.48) ESR1TSHRACP3ACHEALDH1A1
SCHEMBL954806 0.79 ESR1 (0.46) ESR1TSHRACP3ACHEALDH1A1
SCHEMBL29433705 0.79 ESR1 (0.46) ESR1TSHRACP3ACHEALDH1A1
SCHEMBL10519770 0.77 ESR1 (0.45) ESR1TSHRACP3ACHEALDH1A1
SCHEMBL11453434 0.77 ESR1 (0.45) ESR1TSHRACP3ACHEALDH1A1
SCHEMBL9501889 0.77 TRPA1 (0.50) ESR1TSHRACP3ACHEALDH1A1
SCHEMBL5697209 0.77 TSHR (0.50) ESR1TSHRACP3ACHEALDH1A1
SCHEMBL198213 0.77 TSHR (0.50) ESR1TSHRACP3ACHEALDH1A1
SCHEMBL13773379 0.76 GABRA1 (0.44) TSHRALDH1A1LMNAKMT2ASLC6A2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US claimed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP claimed
US-4048212-A Process for the manufacture of 1,4-dicyanonaphthalenes CIBA-GEIGY CORPORATION (US) 1977-09-13 US claimed
JP-7285924-A None JP disclosed
US-12392042-B2 Alternating current (AC) transition-metal catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-08-19 US disclosed
US-20230407492-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-12-21 US disclosed
EP-4214355-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS Yeda Research and Development Co. Ltd (IL) 2023-07-26 EP disclosed
WO-2022059010-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-03-24 WO disclosed
CN-112494653-A Combination of IRS/STAT3 dual modulators and anticancer agents for the treatment of cancer 特尔诺沃有限公司 2021-03-16 CN disclosed
CN-112353938-A Combination of IRS/STAT3 dual modulators and anticancer agents for the treatment of cancer 特尔诺沃有限公司 2021-02-12 CN disclosed
CN-107250108-B Combination of IRS/STAT3 dual modulators and anticancer agents for the treatment of cancer 特尔诺沃有限公司 2020-11-27 CN disclosed
CN-110950778-A Process and catalyst system for preparing aromatic malononitrile 安徽省化工研究院 2020-04-03 CN disclosed
US-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US disclosed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP disclosed
JP-H07285924-A BENZOFLUORENE COMPOUND AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR CONTAINING THE SAME RICOH CO LTD 1995-10-31 JP disclosed
US-4048212-A Process for the manufacture of 1,4-dicyanonaphthalenes CIBA-GEIGY CORPORATION (US) 1977-09-13 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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH ESR1 4503/4885TSHR 1484/4885ACP3 208/4885

“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.