SCHEMBL709834

SCHEMBL709834

NC(=S)c1ccccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.63
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
BCL2L1 Q07817 1/20 0.44
HNF4A P41235 1/20 0.44
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
BACE1 P56817 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL13964794 0.85 BCAT2 (0.43) BCAT2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6962967 0.84 BCAT2 (0.46) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL28613771 0.84 BCAT2 (0.50) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL8343625 0.84 SLC6A4 (0.53) BCAT2MEN1KMT2AALDH1A1GAA
SCHEMBL7899207 0.82 BCAT2 (0.44) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6070294 0.81 BCAT2 (0.56) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL7897892 0.81 TAAR1 (0.48) BCAT2DPP4
SCHEMBL7896378 0.81 BCAT2 (0.43) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Hydrochlorthiazide SCHEMBL5946143 0.80 BCAT2 (0.44) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL7889274 0.79 BCAT2 (0.42) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102560467-A Highly corrosion-resistant galvanized black passivating agent and preparation method thereof JINAN DILIGENCE TECHNOLOGY CO LTD 2012-07-11 CN claimed
CN-105492179-B The composition and the product made of the elastomer film for forming elastomer film 皮肤防护有限公司 2019-03-08 CN disclosed
CN-105531092-B Form the composition of elastomer film and the product made of the elastomer film 皮肤防护有限公司 2018-04-20 CN disclosed
US-9801861-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2017-10-31 US disclosed
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2016-08-25 US disclosed
US-9353072-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2016-05-31 US disclosed
CN-105531092-A Elastomeric film-forming compositions and articles made from the elastomeric film SKINPROTECT CORP SDN BHD 2016-04-27 CN disclosed
CN-105492179-A Elastomeric film-forming compositions and articles made from the elastomeric film SKINPROTECT CORP SDN BHD 2016-04-13 CN disclosed
CN-103946337-A Hygrochromic/thermochromic composition and hygrochromic/thermochromic indicator SAKURA COLOR PROD CORP 2014-07-23 CN disclosed
US-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION 2014-05-01 US disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
CN-1033584-C Benzo-fused lactams that promote release of growth hormone MERCK & CO INC (US) 1996-12-18 CN disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
US-4055665-A Treating arrythmia with phenylthioaralkylamines MERCK & CO., INC. (US) 1977-10-25 US disclosed
US-4018830-A Phenylthioaralkylamines MERCK & CO., INC. (US) 1977-04-19 US disclosed
US-3953464-A ANALGESICS, ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1976-04-27 US disclosed
US-3951997-A ANTIINFLAMMATORY, ANALGESIC WARNER-LAMBERT COMPANY (US) 1976-04-20 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 (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-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 BCAT2 805/4885MEN1 4606/4885KMT2A 4497/4885
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 BCAT2 805/4885MEN1 4606/4885KMT2A 4497/4885

“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.