SCHEMBL2829789

SCHEMBL2829789

COC(=O)c1nc(C)sc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
PKM P14618 3/20 0.36
MAPT P10636 4/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL25290051 0.84 NPSR1 (0.54) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3313992 0.81 ALDH1A1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL16417686 0.80 NPSR1 (0.54) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL31539265 0.79 NPSR1 (0.48) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1549089 0.79 ALDH1A1 (0.54) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1970147 0.78 RAB9A (0.38) ALDH1A1SMN1; SMN2HPGDL3MBTL1MAPT
SCHEMBL13263627 0.77 L3MBTL1 (0.37) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL2826439 0.77 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12228844 0.77 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL275767 0.77 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132127-A1 NOVEL SPIRO COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-05-14 US disclosed
US-20250179061-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2025-06-05 US disclosed
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
CN-116217593-B Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2025-05-09 CN disclosed
WO-2025096751-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-04-08 US disclosed
EP-4486743-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2025-01-08 EP disclosed
US-20240360155-A1 Benzodiazepine Derivatives as RSV Inhibitors ENANTA PHARM INC (US) 2024-10-31 US disclosed
CN-118765280-A RIP1 modulators, their preparation and use 维泰瑞隆有限公司 2024-10-11 CN disclosed
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2024-09-10 US disclosed
US-20110263581-A1 FUSED TRICYCLIC COMPOUNDS AS SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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 (8 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-20110263581-A1 FUSED TRICYCLIC COMPOUNDS AS SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS PARP1, PARP11, TNKS NPSR1 3853/4885KDM4E 1489/4885ALDH1A1 3612/4885
US-20240360155-A1 Benzodiazepine Derivatives as RSV Inhibitors GABRA5, GABRA1, GABBR2 NPSR1 114/4885KDM4E 1198/4885ALDH1A1 621/4885
US-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 NPSR1 173/4885KDM4E 1059/4885ALDH1A1 913/4885
US-20250179061-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK3 NPSR1 3880/4885KDM4E 3746/4885ALDH1A1 4611/4885
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 NPSR1 114/4885KDM4E 1198/4885ALDH1A1 621/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 NPSR1 4/4885KDM4E 2475/4885ALDH1A1 1916/4885
US-20260132127-A1 NOVEL SPIRO COMPOUND TRHR, NR3C2, THRB NPSR1 154/4885KDM4E 4548/4885ALDH1A1 1063/4885
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ACE, ACE2, SPCS3 NPSR1 2051/4885KDM4E 4059/4885ALDH1A1 4172/4885

“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.