SCHEMBL752656

SCHEMBL752656

CNC(=O)c1csc(C)n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
TLR7 Q9NYK1 3/20 0.57
HPGD P15428 1/20 0.56
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
Methyl Alcohol SCHEMBL15648146 0.98 TLR7 (0.59) RAB9ANPC1POLBTLR7HPGD
SCHEMBL1130953 0.82 TLR7 (0.55) RAB9ANPC1POLBTLR7KDM4E
SCHEMBL15296758 0.81 HIF1A (0.55) RAB9ANPC1POLBTLR7HPGD
SCHEMBL162579 0.80 HPGD (0.56) RAB9ANPC1POLBTLR7HPGD
SCHEMBL2927818 0.80 HPGD (0.56) RAB9ANPC1POLBTLR7HPGD
SCHEMBL12370920 0.79 TLR7 (0.53) RAB9ANPC1POLBTLR7HPGD
SCHEMBL13631420 0.79 TLR7 (0.53) RAB9ANPC1TLR7KDM4EHIF1A
SCHEMBL2642829 0.79 HIF1A (0.60) RAB9ANPC1POLBTLR7HPGD
SCHEMBL15296755 0.79 HIF1A (0.59) RAB9ANPC1POLBTLR7KDM4E
SCHEMBL27830217 0.79 TLR7 (0.50) RAB9ANPC1POLBTLR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP claimed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP claimed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP claimed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO claimed
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 WO disclosed
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-09-08 US disclosed
CN-110036015-B Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha response 百时美施贵宝公司 2022-07-19 CN disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
WO-2021180235-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF 四川海思科制药有限公司 2021-09-16 WO disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
EP-3336090-B1 IRAK4 INHIBITOR AND USE THEREOF BEIJING HANMI PHARMACEUTICAL CO LTD (CN) 2020-07-22 EP disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-20090203715-A1 NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER SCHERING PHARMA AG (DE) 2009-08-13 US disclosed
US-20090163486-A1 Novel 2-arylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-25 US disclosed
WO-2009074234-A1 NOVEL 2-SUBSTITUTED THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
US-20090149517-A1 NOVEL 2-SUBSTITUTED TIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-11 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP 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 (7 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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA RAB9A 847/4885NPC1 405/4885POLB 3905/4885
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION CUL1, CUL2, NEDD8 RAB9A 1349/4885NPC1 197/4885POLB 2069/4885
US-20090203715-A1 NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CNR2, CYP11B2, CYP2C19 RAB9A 1768/4885NPC1 182/4885POLB 4296/4885
US-20090163486-A1 Novel 2-arylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals CNR2, ABAT, TPMT RAB9A 2324/4885NPC1 230/4885POLB 3817/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 RAB9A 3535/4885NPC1 4274/4885POLB 4432/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B RAB9A 3133/4885NPC1 1992/4885POLB 14/4885
US-20090149517-A1 NOVEL 2-SUBSTITUTED TIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CNR2, TPMT, ABAT RAB9A 2381/4885NPC1 449/4885POLB 4336/4885

“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.