SCHEMBL3081682

SCHEMBL3081682

NC(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.62
CHEK2 O96017 1/20 0.62
FYN P06241 1/20 0.53
LTA4H P09960 1/20 0.53
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
AR P10275 1/20 0.53
HPGDS O60760 1/20 0.51
HDAC2 Q92769 4/20 0.49
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 3/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNH2 Q12809 1/20 0.47
ATM Q13315 1/20 0.47

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
Hydrochloric Acid SCHEMBL30685153 0.98 CHEK1 (0.61) CHEK1CHEK2FYNLTA4HABL1
SCHEMBL27605045 0.84 ABL1 (0.55) CHEK1CHEK2LTA4HABL1BCR
SCHEMBL4559856 0.84 AR (0.52) CHEK1CHEK2ARHDAC2HDAC1
SCHEMBL420705 0.82 KDM4E (0.55) LTA4HABL1BCRHPGDSHDAC2
SCHEMBL1020361 0.81 ABL1 (0.53) CHEK1CHEK2LTA4HABL1BCR
SCHEMBL27612096 0.81 NQO2 (0.58) CHEK1CHEK2LTA4HABL1BCR
SCHEMBL1133065 0.81 MAPT (0.53) LTA4HABL1BCRHDAC2HDAC1
Carbamic Acid SCHEMBL26695414 0.80 HPGDS (0.54) LTA4HHPGDSHDAC2HDAC1HDAC3
SCHEMBL3283049 0.79 HPGDS (0.56) LTA4HABL1BCRHPGDSHDAC2
SCHEMBL27889063 0.79 CES2 (0.56) LTA4HABL1BCRHPGDSHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
CN-118496135-B Thiourea compound or pharmaceutically acceptable salt thereof and application thereof as immunosuppressant 中国海洋大学 2024-11-15 CN disclosed
CN-118496135-A Thiourea compound or pharmaceutically acceptable salt thereof and application thereof as immunosuppressant 中国海洋大学 2024-08-16 CN disclosed
US-20240075025-A1 Therapy for Mitochondrial Fatty Acid Beta-Oxidation and Transport Disorders UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2024-03-07 US disclosed
WO-2023233024-A1 DPP9 BINDING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2023-12-07 WO disclosed
US-20230110554-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CORONAVIRUS INFECTION CONSTANT THERAPEUTICS LLC 2023-04-13 US disclosed
EP-3373951-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EPIDERMOLYSIS BULLOSA TARIX PHARMACEUTICALS LTD (US) 2021-11-17 EP disclosed
US-10960045-B2 Methods and compositions for the treatment of epidermolysis bullosa CONSTANT THERAPEUTICS LLC (US) 2021-03-30 US disclosed
US-20190000809-A1 ANGIOTENSIN IN TREATING BRAIN CONDITIONS TARIX PHARMACEUTICALS LTD. 2019-01-03 US disclosed
US-6538144-B2 Reacting thiophene-3-boronic acids with p-bromobenzaldehydes to form first intermediate, recting it with primary amines to form a second intermediate which is reacted with acyl chlrides, deprotecting to form sulfonamide, then sulfonylurea AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-25 US disclosed
US-6538144-B2 Reacting thiophene-3-boronic acids with p-bromobenzaldehydes to form first intermediate, recting it with primary amines to form a second intermediate which is reacted with acyl chlrides, deprotecting to form sulfonamide, then sulfonylurea AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-25 US disclosed
US-6538144-B2 Reacting thiophene-3-boronic acids with p-bromobenzaldehydes to form first intermediate, recting it with primary amines to form a second intermediate which is reacted with acyl chlrides, deprotecting to form sulfonamide, then sulfonylurea AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-25 US disclosed
US-20020188139-A1 P-thienylbenzylamides as agonists of angiotensin-(1-7) receptors, and methods of their preparartion and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-12 US disclosed
US-20020188139-A1 P-thienylbenzylamides as agonists of angiotensin-(1-7) receptors, and methods of their preparartion and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-12 US disclosed
US-20020188139-A1 P-thienylbenzylamides as agonists of angiotensin-(1-7) receptors, and methods of their preparartion and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-12 US disclosed
WO-2002072569-A1 P-THIENYLBENZYL-AMIDES SERVING AS AGONISTS OF ANGIOTENSIN-(1-7)-RECEPTORS, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 WO disclosed
WO-2002072569-A1 P-THIENYLBENZYL-AMIDES SERVING AS AGONISTS OF ANGIOTENSIN-(1-7)-RECEPTORS, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 WO disclosed
CN-1310621-A Substituted anilide compounds and methods SMITHKLINE BEECHAM CORP (US) 2001-08-29 CN 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 (6 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-20020188139-A1 P-thienylbenzylamides as agonists of angiotensin-(1-7) receptors, and methods of their preparartion and use AGTR1, AGTR2, EDNRA CHEK1 2555/4885CHEK2 3661/4885FYN 2205/4885
US-20190000809-A1 ANGIOTENSIN IN TREATING BRAIN CONDITIONS ACE, AGT, ACE2 CHEK1 4719/4885CHEK2 4632/4885FYN 794/4885
US-10960045-B2 Methods and compositions for the treatment of epidermolysis bullosa ELANE, SERPINB1, ACE CHEK1 965/4885CHEK2 1037/4885FYN 2801/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS CHEK1 2820/4885CHEK2 1537/4885FYN 1345/4885
US-20240075025-A1 Therapy for Mitochondrial Fatty Acid Beta-Oxidation and Transport Disorders HADHB, HADHA, NDUFAB1 CHEK1 4733/4885CHEK2 4804/4885FYN 3386/4885
US-20230110554-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CORONAVIRUS INFECTION ACE, ACE2, AGTR1 CHEK1 2351/4885CHEK2 3204/4885FYN 534/4885

“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.