SCHEMBL2237645

SCHEMBL2237645

COC(=O)c1n[nH]c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
F2 P00734 2/20 0.37
MAPT P10636 1/20 0.37
CGAS Q8N884 1/20 0.36
KDM4E B2RXH2 3/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34

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
Sulfuric Acid SCHEMBL28838438 0.93 TSHR (0.38) TSHRNPSR1MAPK1KDM4CMEN1
Sulfuric Acid SCHEMBL29044137 0.91 TSHR (0.37) TSHRNPSR1MAPK1KDM4CMEN1
SCHEMBL2534433 0.79 PDE4D (0.47) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL23382047 0.78 HSD17B10 (0.54) TSHRNPSR1MAPK1KDM4CKMT2A
SCHEMBL21816183 0.78 SMYD3 (0.45) NPSR1MAPK1KDM4CKMT2AALDH1A1
SCHEMBL2944190 0.76 NPSR1 (0.41) TSHRNPSR1MAPK1KDM4CKMT2A
SCHEMBL13941182 0.76 NPSR1 (0.41) TSHRNPSR1MAPK1KDM4CKMT2A
SCHEMBL29217303 0.76 NPSR1 (0.41) TSHRNPSR1MAPK1KDM4CKMT2A
SCHEMBL18572717 0.75 NPSR1 (0.60) TSHRNPSR1MAPK1MEN1KMT2A
SCHEMBL2528048 0.74 LMNA (0.46) TSHRMAPK1ALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120157540-A Long-acting compound fertilizer and preparation method thereof 湘潭瀚荣生态科技有限公司 2025-06-17 CN claimed
CN-116514729-B Preparation process of 1,2, 4-triazole-3-carboxylic acid methyl ester 济南明鑫制药股份有限公司 2024-04-16 CN claimed
CN-116514729-A Preparation process of 1,2, 4-triazole-3-carboxylic acid methyl ester 济南明鑫制药股份有限公司 2023-08-01 CN claimed
WO-2023103853-A1 CLEANING FLUID AND USE THEREOF 安集微电子科技(上海)股份有限公司 2023-06-15 WO claimed
CN-116254159-A Cleaning fluid and application thereof 安集微电子科技(上海)股份有限公司 2023-06-13 CN claimed
US-20210202264-A1 ETCHANT COMPOSITIONS AND METHODS OF MANUFACTURING INTEGRATED CIRCUIT DEVICES USING THE SAME SAMYOUNG PURE CHEMICALS CO., LTD. (KR) 2021-07-01 US claimed
CN-110408048-B Insensitive energetic metal organic framework and preparation method thereof 中国工程物理研究院化工材料研究所 2021-06-22 CN claimed
CN-106939248-A Automobile water-based base carbon distribution cleaning combination 佛山市云系科技有限公司 2017-07-11 CN claimed
CN-105439968-A Synthesis method of ribavirin drug intermediate methyl 1,2,4-triazolyl-3-carboxylate CHENGDU ZHONGHENG HUATIE TECH CO LTD 2016-03-30 CN claimed
US-20250282994-A1 ETCHING COMPOSITIONS, METHODS OF TREATING SUBSTRATES USING THE SAME, AND METHODS OF MANUFACTURING INTEGRATED CIRCUIT DEVICES USING THE SAME SAMYOUNG PURE CHEMICALS CO., LTD. (KR) 2025-09-11 US disclosed
CN-120157540-A Long-acting compound fertilizer and preparation method thereof 湘潭瀚荣生态科技有限公司 2025-06-17 CN disclosed
CN-120157540-A Long-acting compound fertilizer and preparation method thereof 湘潭瀚荣生态科技有限公司 2025-06-17 CN disclosed
WO-2025021148-A1 WRN INHIBITOR, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 贝达药业股份有限公司 2025-01-30 WO disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-4670448-A ANTIINFLAMMATORY AGENTS, HISTAMINE H2-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1987-06-02 US disclosed
US-4536508-A ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1985-08-20 US disclosed
EP-0016565-B1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-05-23 EP disclosed
EP-0016565-A1 1,2,4-Triazole derivatives, processes for their production and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1980-10-01 EP 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-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 TSHR 4309/4885NPSR1 4472/4885MAPK1 1843/4885

“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.