SCHEMBL5579308

SCHEMBL5579308

Oc1ccnn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
CYP2C9 P11712 6/20 0.45
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GLS O94925 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C18 P33260 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MDM2 Q00987 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL29829749 0.82 MAPK9 (0.42) POLBCYP2C9KDM4ELMNA
SCHEMBL14696217 0.78 KDM4E (0.42) POLBKDM4ENR3C2
SCHEMBL10790675 0.78 POLB (0.44) POLBCYP2C9CYP2C19CYP2C18LMNA
SCHEMBL23401516 0.78 ALDH1A1 (0.44) CYP2C9HSP90AA1CYP2C19CYP2C18LMNA
SCHEMBL14696791 0.77 NR3C2 (0.46) POLBKEAP1NR3C2NPC1
SCHEMBL23399997 0.77 KMT2A (0.48) POLBGAAKDM4EHSP90AA1LMNA
SCHEMBL15663976 0.77 NR3C2 (0.47) POLBGAAKDM4ETDP1NR3C2
SCHEMBL28391996 0.75 POLB (0.50) POLBCYP2C9GAACYP2C19LMNA
Hydrochloric Acid SCHEMBL10340598 0.75 KMT2A (0.47) POLBGAAKDM4EHSP90AA1LMNA
SCHEMBL28814054 0.74 LMNA (0.43) KDM4EHSP90AA1LMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956843-A High-elasticity-recovery-rate low-temperature-resistant asphalt pavement crack pouring adhesive 梁昌云 2022-01-21 CN claimed
CN-104458601-A Fiber identification coloring agent and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2015-03-25 CN claimed
US-4400317-A NO NEED TO PRECIPITATE PRODUCT FROM REACTION SOLUTION AMERICAN HOECHST CORPORATION (US) 1983-08-23 US claimed
CN-122036691-A 3-Phenyl-1H-pyrazol-5-alcohol spliced indole derivatives, and preparation method and application thereof 遵义医药高等专科学校 2026-05-15 CN disclosed
WO-2025062334-A1 4-((5-(3-(4-(PYRIDIN-2-YL)CYCLOPENTYL)-1 H-PYRAZOL-3-YL)AMINO)-BENZENESULFONAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER BEIGENE SWITZERLAND GMBH (CH) 2025-03-27 WO disclosed
US-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 US disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 US disclosed
CN-113956843-A High-elasticity-recovery-rate low-temperature-resistant asphalt pavement crack pouring adhesive 梁昌云 2022-01-21 CN disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
CN-108658867-A A kind of synthetic method of the ketone compounds of pyrazoline containing benzenesulfonyl 青岛农业大学 2018-10-16 CN disclosed
CN-104059020-B The preparation method of 1-aryl-5-hydroxypyrazoles 湖南海利常德农药化工有限公司 2016-08-31 CN disclosed
CN-104059020-A Preparation method for 1-aryl-5-hydroxy pyrazol HUNAN HAILI CHANGDE PESTICIDE & CHEMICAL INDUSTRY CO LTD 2014-09-24 CN disclosed
US-8569346-B1 Thiazoline ring compounds as botulinum antagonists BIOMADISON, INC. (US) 2013-10-29 US disclosed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed
US-4531005-A Pyrazol-4-yl phosphites TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-07-23 US disclosed
US-4400317-A NO NEED TO PRECIPITATE PRODUCT FROM REACTION SOLUTION AMERICAN HOECHST CORPORATION (US) 1983-08-23 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-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D POLB 3830/4885CYP2C9 879/4885GAA 914/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D POLB 3830/4885CYP2C9 879/4885GAA 914/4885

“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.