SCHEMBL1126831

SCHEMBL1126831

COC(=O)Cn1cccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 5/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9208101 0.79 KDM4E (0.49) KDM4ESMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL2337869 0.77 GSK3A (0.50) KDM4EGAAALDH1A1TSHRMAPK1
SCHEMBL8045914 0.77 TSHR (0.50) KDM4EHPGDALDH1A1TSHRLMNA
SCHEMBL9522504 0.77 KDM4E (0.43) KDM4ESMN1; SMN2HPGDGAAALDH1A1
SCHEMBL27425338 0.76 HPGD (0.40) KDM4EHPGDGAAALDH1A1TSHR
SCHEMBL26091147 0.74 TSHR (0.54) ALDH1A1TSHRLMNAMAPTHSD17B10
SCHEMBL2876964 0.74
SCHEMBL9206601 0.73 GLS (0.41) KDM4ESMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL27667510 0.73 KDM4E (0.36) KDM4ESMN1; SMN2GAAALDH1A1TSHR
SCHEMBL2853083 0.73 ALDH1A1 (0.60) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113023678-B Oxygen generation device of high-temperature carbonized ceramic-based molecular sieve membrane and use method thereof 湖南万脉医疗科技有限公司 2022-03-18 CN claimed
CN-113023678-A Oxygen generation device of high-temperature carbonized ceramic-based molecular sieve membrane and use method thereof 湖南万脉医疗科技有限公司 2021-06-25 CN claimed
CN-113023679-A Oxygen generation device of medical high-temperature molecular sieve membrane adsorption tower and use method thereof 湖南万脉医疗科技有限公司 2021-06-25 CN claimed
EP-1054669-A2 USE OF THIADIAZOLO[4,3-A]PYRIDINE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 2000-11-29 EP claimed
WO-1999042089-A2 USE OF THIADIAZOLO[4,3-A]PYRIDINE DERIVATIVES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO claimed
CN-113023679-B Oxygen generation device of medical high-temperature molecular sieve membrane adsorption tower and use method thereof 湖南万脉医疗科技有限公司 2022-07-01 CN disclosed
CN-113023678-B Oxygen generation device of high-temperature carbonized ceramic-based molecular sieve membrane and use method thereof 湖南万脉医疗科技有限公司 2022-03-18 CN disclosed
CN-113023679-A Oxygen generation device of medical high-temperature molecular sieve membrane adsorption tower and use method thereof 湖南万脉医疗科技有限公司 2021-06-25 CN disclosed
CN-113023678-A Oxygen generation device of high-temperature carbonized ceramic-based molecular sieve membrane and use method thereof 湖南万脉医疗科技有限公司 2021-06-25 CN disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
US-5252584-A Antagonist for treating nervous system disorders MERCK SHARP & DOHME LIMITED (GB) 1993-10-12 US disclosed
EP-0489458-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-06-10 EP disclosed
US-5091407-A HETEROCYCLIC COMPOUNDS AS FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed
EP-0206523-B1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4883807-A PLANT GROWTH REGULATORS, SUBSTITUTED PYRROLE ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-28 US disclosed
EP-0273572-A2 Pyrrole derivatives and their use in agriculture ZENECA LIMITED (GB) 1988-07-06 EP disclosed
EP-0206523-A1 Heterocyclic compounds as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-12-30 EP disclosed
US-4140793-A HYPOGLYCEMIC AGENTS, ANTIULCER AGENTS JOHN WYETH & BROTHER, LTD. (GB) 1979-02-20 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-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885SMN1; SMN2 2831/4885HPGD 2971/4885

“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.