SCHEMBL1901533

SCHEMBL1901533

C#CCc1ccccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 3/20 0.43
METAP2 P50579 1/20 0.42
BCAT2 O15382 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.38
CTNNB1 P35222 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MAPK8 P45983 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL28666642 0.86 BCAT2 (0.49) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28460662 0.84 MEN1 (0.40) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28826085 0.84 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28203523 0.84 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL14344103 0.82 FOLH1 (0.53) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28666028 0.82 BCAT2 (0.45) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28203520 0.81 HMGB1 (0.38) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2863807 0.81 BCAT2 (0.46) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3348759 0.78 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL29394876 0.78 AKR1C3 (0.50) ALDH1A1MAPTTSHRNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167556-A Thio-hydantoin androgen receptor antagonist for treating cancer 詹森药业有限公司 2019-08-23 CN claimed
EP-0869942-A1 4-((HETEROCYCLOALKYL OR HETEROAROMATIC)-SUBSTITUTED PHENYL]-2-AZETIDINONES USEFUL AS HYPOLIPIDEMIC AGENTS SCHERING CORPORATION (US) 1998-10-14 EP claimed
WO-1996019450-A1 4-[(HETEROCYCLOALKYL OR HETEROAROMATIC)-SUBSTITUTED PHENYL]-2-AZETIDINONES USEFUL AS HYPOLIPIDEMIC AGENTS SCHERING CORPORATION (US) 1996-06-27 WO claimed
US-12628827-B2 Isoxazoline compounds and their use as pest control agents PI INDUSTRIES LIMITED (IN) 2026-05-19 US disclosed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
WO-2024149345-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-07-18 WO disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
WO-2024078392-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-04-18 WO disclosed
US-11944099-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2024-04-02 US disclosed
US-20240057604-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2024-02-22 US disclosed
CN-218620662-U Production device of propyzamide 成武县晨晖环保科技有限公司 2023-03-14 CN disclosed
CN-109640986-A Thio-hydantoin androgen receptor antagonists for treating cancer 詹森药业有限公司 2019-04-16 CN disclosed
CN-106279132-A 2, 4-imidazoline diketone heterocyclic derivative and preparation method and application thereof 四川大学华西医院 2017-01-04 CN disclosed
EP-2324357-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST Polyintell (FR) 2011-05-25 EP disclosed
WO-2010029504-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST POLYINTELL (FR) 2010-03-18 WO disclosed
EP-0869942-B1 4-((HETEROCYCLOALKYL OR HETEROAROMATIC)-SUBSTITUTED PHENYL]-2-AZETIDINONES USEFUL AS HYPOLIPIDEMIC AGENTS SCHERING CORP (US) 2002-02-13 EP disclosed
EP-0869942-A1 4-((HETEROCYCLOALKYL OR HETEROAROMATIC)-SUBSTITUTED PHENYL]-2-AZETIDINONES USEFUL AS HYPOLIPIDEMIC AGENTS SCHERING CORPORATION (US) 1998-10-14 EP disclosed
US-5656624-A ADMINISTERING TO LOWER SERUM CHOLESTEROL LEVELS SCHERING CORPORATION (US) 1997-08-12 US disclosed
WO-1996019450-A1 4-[(HETEROCYCLOALKYL OR HETEROAROMATIC)-SUBSTITUTED PHENYL]-2-AZETIDINONES USEFUL AS HYPOLIPIDEMIC AGENTS SCHERING CORPORATION (US) 1996-06-27 WO disclosed
EP-0339976-A1 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-02 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 (5 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-11944099-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD KDM4E 1609/4885ALDH1A1 443/4885MAPT 3431/4885
US-12628827-B2 Isoxazoline compounds and their use as pest control agents HCN1, CBR3, SCN1B KDM4E 2989/4885ALDH1A1 2076/4885MAPT 4835/4885
US-20240057604-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PRDX1, RDX, PRDX2 KDM4E 1461/4885ALDH1A1 774/4885MAPT 3484/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 KDM4E 1773/4885ALDH1A1 133/4885MAPT 4304/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 KDM4E 2141/4885ALDH1A1 161/4885MAPT 4215/4885

“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.