SCHEMBL3038796

SCHEMBL3038796

c1ccc(Nc2ccsc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.57
ALDH1A1 P00352 7/20 0.55
ALOX12 P18054 4/20 0.55
TSHR P16473 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
ALOX15 P16050 2/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
MAPK1 P28482 1/20 0.55
PTGS2 P35354 1/20 0.55
HTR2B P41595 1/20 0.55
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
AR P10275 1/20 0.48
HPGD P15428 3/20 0.46
CYP3A4 P08684 5/20 0.44
HTT P42858 3/20 0.44
CYP2E1 P05181 1/20 0.44

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
SCHEMBL3185782 0.87 CYP2A6 (0.36) HSD17B10ALDH1A1ALOX12TSHRTDP1
SCHEMBL28861825 0.77 HPGD (0.52) HSD17B10ALDH1A1ALOX12TSHRTDP1
SCHEMBL8418943 0.77 KDM1A (0.41) KMT2AMEN1HPGDCYP2E1CYP2A6
Diphenylamine SCHEMBL28192462 0.77 HSD17B10 (0.67) HSD17B10ALDH1A1ALOX12TSHRTDP1
Diphenylamine SCHEMBL3003404 0.76 HSD17B10 (1.00) HSD17B10ALDH1A1ALOX12TSHRTDP1
Diphenylamine SCHEMBL1619083 0.76 HSD17B10 (1.00) HSD17B10ALDH1A1ALOX12TSHRTDP1
SCHEMBL4785787 0.76 FADS1 (0.45) ALDH1A1TDP1MAPTKMT2AMEN1
Diphenylamine SCHEMBL301493 0.76 HSD17B10 (1.00) HSD17B10ALDH1A1ALOX12TSHRTDP1
Diphenylamine SCHEMBL229 0.76 HSD17B10 (1.00) HSD17B10ALDH1A1ALOX12TSHRTDP1
Diphenylamine SCHEMBL6828443 0.76 HSD17B10 (1.00) HSD17B10ALDH1A1ALOX12TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448909-B N-carbazolyl-1H-pyrrole-2-carboxamide and application thereof as ligand in copper-catalyzed C-N coupling reaction 中山大学 2023-10-27 CN disclosed
CN-115448909-A N-carbazolyl-1H-pyrrole-2-formamide and application thereof as ligand in copper-catalyzed C-N coupling reaction 中山大学 2022-12-09 CN disclosed
WO-2022183900-A1 ORGANIC LIGHT-EMITTING DEVICE HAVING THERMALLY ACTIVATED DELAYED FLUORESCENT MATERIAL AS LIGHT-EMITTING LAYER MATERIAL 北京大学深圳研究生院 2022-09-09 WO disclosed
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-09-14 US disclosed
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-09-14 US disclosed
CN-108530444-B Novel NAMPT and IDO dual inhibitor and preparation method and medical application thereof 药康众拓(江苏)医药科技有限公司 2021-08-24 CN disclosed
EP-3016952-B1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
EP-3016952-B1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-22 US disclosed
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-22 US disclosed
US-20030219427-A1 TPL-2/COT kinase and methods of use MEDICAL RESEARCH COUNCIL (GB) 2003-11-27 US disclosed
US-20020099169-A1 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLCHAFT 2002-07-25 US disclosed
CN-1333758-A Substituted bicyclic derivatives useful as anticancer agents PFIZER PROD INC (US) 2002-01-30 CN disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed
CN-1028009-C conductive pigment composite material KERR MC GEE CHEM CORP (US) 1995-03-29 CN disclosed
US-5106690-A Method for producing electrically conductive pigmentary composites KERR-MCGEE CHEMICAL CORPORATION (US) 1992-04-21 US disclosed
US-5028481-A Electrically conductive pigmentary composites KERR-MCGEE CHEMICAL (US) 1991-07-02 US disclosed
CN-1051049-A ELECTRICALLY CONDUCTIVE PIGMENTARY COMPOSITES KERR MC GEE CHEM CORP (US) 1991-05-01 CN disclosed
US-4272507-A Phenylaminothiophenacetic acids, their synthesis, compositions and use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-06-09 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-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices PORCN, COASY, AAAS HSD17B10 1772/4885ALDH1A1 2105/4885ALOX12 3890/4885
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES PORCN, COASY, AAAS HSD17B10 1772/4885ALDH1A1 2105/4885ALOX12 3890/4885

“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.