SCHEMBL102574

SCHEMBL102574

Cc1cccc(C#N)c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
NISCH Q9Y2I1 1/20 0.43
TRPA1 O75762 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
AR P10275 4/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 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
SCHEMBL29941499 1.00 TSHR (0.65) TSHRNISCHTRPA1ATMCYP1A2
Hydrochloric Acid SCHEMBL20840273 0.98 TSHR (0.62) TSHRNISCHTRPA1ATMCYP1A2
SCHEMBL819145 0.87 TSHR (0.59) TSHRNISCHARCA1CA2
Aniline SCHEMBL28030198 0.86 TSHR (0.55) TSHRNISCHCYP1A2CYP2C19CA1
Trifluoroacetic Acid SCHEMBL15393051 0.82 TSHR (0.46) TSHRTRPA1ATMARALDH1A1
SCHEMBL30166195 0.81 TSHR (0.60) TSHRCYP1A2CYP2C19ARCA1
SCHEMBL1344112 0.81 TSHR (0.60) TSHRCYP1A2CYP2C19ARCA1
SCHEMBL15536129 0.81 TSHR (0.54) TSHRNISCHTRPA1ATMCYP1A2
SCHEMBL21022697 0.80 TSHR (0.65) TSHRCYP1A2CYP2C19ARCA1
Hydrochloric Acid SCHEMBL28845702 0.79 TSHR (0.58) TSHRCYP1A2CYP2C19ARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US claimed
CN-113227752-B Enhanced, rapid, homogeneous cell staining and assay 上海宜晟生物科技有限公司 2025-04-29 CN claimed
CN-115010671-B One-step synthesis method of 2-substituted quinazolinone 江苏大学 2023-10-10 CN claimed
CN-116803982-A Organic electronic transmission material containing naphthalene and benzonitrile groups and application thereof 上海传勤新材料有限公司 2023-09-26 CN claimed
CN-116283907-A Organic electronic material containing triazinyl and benzonitrile groups and application thereof 上海传勤新材料有限公司 2023-06-23 CN claimed
US-20230159854-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2023-05-25 US claimed
EP-4149919-A1 A FRAGRANCE COMPOSITION Symrise AG (DE) 2023-03-22 EP claimed
CN-115551828-A Perfume composition 西姆莱斯股份公司 2022-12-30 CN claimed
CN-115010671-A One-step synthesis method of 2-substituted quinazolinone 江苏大学 2022-09-06 CN claimed
US-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-03-03 US claimed
CN-101260433-B Method for marking non-heading cabbage molecule by utilizing SAMPL technique UNIV SHANGHAI JIAOTONG 2010-11-17 CN claimed
CN-101260433-A Method for marking non-heading cabbage molecule by utilizing SAMPL technique UNIV SHANGHAI JIAOTONG (CN) 2008-09-10 CN claimed
CN-101003808-A WRKY45 gene of paddy rice, preparation method and application XISHUANGBANNA TROPICAL BOTONIC (CN) 2007-07-25 CN claimed
US-7195802-B2 Multi-color cholesteric liquid crystal display XEROX CORPORATION (US) 2007-03-27 US claimed
CN-1553182-A Mehtod for identifying variety of silkworm and mulberry by AFLP fingerprint 浙江大学 2004-12-08 CN claimed
JP-2003518012-A 2003-06-03 JP claimed
EP-1214300-A2 RATE-CONTROLLED PARTICLES KNOLL AKTIENGESELLSCHAFT (DE) 2002-06-19 EP claimed
CN-1304796-A Process for preparing O(P)-methylbenzonitrile catalyst TIANJIN CHEMICAL DESIGN INST M (CN) 2001-07-25 CN claimed
WO-2001023362-A2 RATE-CONTROLLED PARTICLES ABBOTT GMBH & CO. KG (DE) 2001-04-05 WO claimed
US-3931276-A 2-Chloro-trichloro-benzonitriles BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS TYMP, PNP, CD4 TSHR 4499/4885NISCH 3532/4885TRPA1 3837/4885
US-12534685-B2 Fragrance composition NCLN, HCN2, TRPA1 TSHR 3358/4885NISCH 16/4885TRPA1 3/4885
US-20230159854-A1 A FRAGRANCE COMPOSITION NISCH, NOS1, COXFA4 TSHR 4764/4885NISCH 1/4885TRPA1 62/4885

“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.