SCHEMBL2860159

SCHEMBL2860159

[CH2]c1ccc(C)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.68
CYP2A6 P11509 4/20 0.52
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.41
ACHE P22303 1/20 0.38
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PABPC1 P11940 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
HPGD P15428 4/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL11848474 0.84 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL29447796 0.83 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL11806091 0.83 ALDH1A1 (0.39) CYP1A2CYP2A6ALDH1A1TSHRMAPT
SCHEMBL161370 0.83 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL29363045 0.83 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1TSHRACHE
Formaldehyde SCHEMBL3238616 0.80 CYP1A2 (0.81) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL29352205 0.75 CYP1A2 (0.81) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL21929971 0.75 CYP1A2 (0.81) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL21930041 0.75 CYP1A2 (0.81) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL7937231 0.75 CYP1A2 (0.81) CYP1A2CYP2A6ALDH1A1TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP claimed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US claimed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP claimed
US-10640641-B2 Curable coating compositions of silane functional polymers KING INDUSTRIES (US) 2020-05-05 US disclosed
EP-3641776-A1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY San Diego State University Research Foundation (US) 2020-04-29 EP disclosed
US-20200062953-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES 2020-02-27 US disclosed
CN-107074878-B 2, 3-dihydro-thiazolo [3,2-a ] pyridin-5-one derivatives, intermediates thereof and their use as antibacterial agents 快尔生物技术公司 2019-12-24 CN disclosed
US-10294244-B2 2,3-dihydro-thiazolo[3,2-A]pyridin-5-one derivatives, intermediates thereof, and their use as antibacterial agents QURETECH BIO AB (SE) 2019-05-21 US disclosed
WO-2018237134-A1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY SAN DIEGO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2018-12-27 WO disclosed
US-20180237635-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES 2018-08-23 US disclosed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
US-5612093-A Titanium and zirconium complexes of carboxylic acids as corrosion inhibitors CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
WO-1997001606-A1 AMINOSILANE SALTS AND SILANAMIDES OF CARBOXYLIC ACIDS AS CORROSION INHIBITORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-01-16 WO disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
EP-0187854-A4 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION. BAZZANO GAIL S 1987-01-22 EP disclosed
EP-0187854-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO, Gail S (US) 1986-07-23 EP disclosed
WO-1986000616-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO GAIL SANSONE 1986-01-30 WO 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-10294244-B2 2,3-dihydro-thiazolo[3,2-A]pyridin-5-one derivatives, intermediates thereof, and their use as antibacterial agents NOD1, MT-ND1, NDUFB7 CYP1A2 500/4885CYP2A6 985/4885ALDH1A1 1147/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 CYP1A2 835/4885CYP2A6 1634/4885ALDH1A1 423/4885

“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.