SCHEMBL3183554

SCHEMBL3183554

Cc1nc2cc(C(=O)O)[nH]c2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PIN1 Q13526 2/20 0.41
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
GPR35 Q9HC97 2/20 0.38
KDM4E B2RXH2 1/20 0.37
SRD5A2 P31213 1/20 0.37
LDHA P00338 1/20 0.36

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
SCHEMBL13308539 0.86 DAO (0.39) DAOSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7673211 0.83 CYP1A2 (0.42) DAOSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13530912 0.82 DAO (0.53) DAOSMN1; SMN2PIN1TSHRALOX15
SCHEMBL2932315 0.81 RAB9A (0.49) SMN1; SMN2NPC1RAB9AALOX15KMT2A
SCHEMBL23146246 0.80 DAO (0.47) DAOSMN1; SMN2PIN1TSHRALOX15
SCHEMBL2333675 0.76 DAO (0.51) DAOSMN1; SMN2PIN1TSHRALOX15
SCHEMBL12616946 0.75 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AALOX15KMT2A
SCHEMBL23146278 0.75 MAOB (0.46) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL23146366 0.74 DAO (0.53) DAOSMN1; SMN2NPC1RAB9APIN1
SCHEMBL23146413 0.72 SMYD3 (0.38) ALDH1A1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-12-15 US disclosed
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-12-15 US disclosed
EP-4034106-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed
CN-114746089-A Thiazolecarboxamide compounds and their use for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 CN disclosed
WO-2021062318-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
WO-2021062318-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
EP-1784409-B1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2010-06-16 EP disclosed
US-7652046-B2 Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2010-01-26 US disclosed
CN-100562521-C Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC (US) 2009-11-25 CN disclosed
US-20080227822-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICAL INC. (US) 2008-09-18 US disclosed
US-7393867-B2 Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2008-07-01 US disclosed
US-20070299112-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICAL INC. (US) 2007-12-27 US disclosed
CN-101001861-A Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase i epsilon AVENTIS PHARMA INC (US) 2007-07-18 CN disclosed
EP-1784409-A2 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON Aventis Pharmaceuticals, Inc. (US) 2007-05-16 EP disclosed
WO-2006021000-A2 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMACEUTICALS INC. (US) 2006-02-23 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 (3 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-20070299112-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK1A1, CSNK1E, CSNK2A1 DAO 553/4885SMN1; SMN2 3015/4885NPC1 3163/4885
US-20080227822-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK2A1, CSNK1E, CSNK1A1 DAO 671/4885SMN1; SMN2 2985/4885NPC1 3145/4885
US-20220396586-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GOT2, ABAT, SDHA DAO 1058/4885SMN1; SMN2 3634/4885NPC1 1028/4885

“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.