SCHEMBL2653141

SCHEMBL2653141

CN(C)C(=O)c1nccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
RBBP9 O75884 5/20 0.40
PLA2G7 Q13093 1/20 0.39
HSPA9 P38646 1/20 0.39
PLA2G4A P47712 2/20 0.38
CASP3 P42574 3/20 0.38
SENP8 Q96LD8 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP6 Q9GZR1 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CES1 P23141 1/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL223969 0.81 ALDH1A1 (0.53) ALDH1A1RBBP9PLA2G7HSPA9PLA2G4A
SCHEMBL29529044 0.76 ALDH1A1 (0.47) ALDH1A1RBBP9PLA2G7HSPA9PLA2G4A
SCHEMBL247631 0.76
SCHEMBL28027939 0.75 ALDH1A1 (0.67) ALDH1A1RBBP9PLA2G7HSPA9PLA2G4A
SCHEMBL175249 0.75 ALDH1A1 (0.67) ALDH1A1RBBP9PLA2G7HSPA9PLA2G4A
SCHEMBL29789983 0.75 ALDH1A1 (0.46) ALDH1A1RBBP9PLA2G4ANPC1RAB9A
Bromide SCHEMBL27358834 0.74
SCHEMBL121301 0.73
SCHEMBL2170448 0.73
Hydrochloric Acid SCHEMBL27980177 0.73 ALDH1A1 (0.64) ALDH1A1RBBP9PLA2G7HSPA9PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
CN-113227071-B Amide-substituted heterocyclic compounds for the treatment of disorders associated with modulation of IL-12, IL-23 and/or IFN-alpha 百时美施贵宝公司 2024-06-25 CN disclosed
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227071-A Amide-substituted heterocyclic compounds for the treatment of disorders associated with the modulation of IL-12, IL-23 and/or IFN-alpha 百时美施贵宝公司 2021-08-06 CN disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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 (4 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1972/4885RBBP9 780/4885PLA2G7 360/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 ALDH1A1 248/4885RBBP9 2204/4885PLA2G7 3569/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ALDH1A1 1182/4885RBBP9 3499/4885PLA2G7 1433/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 ALDH1A1 646/4885RBBP9 3126/4885PLA2G7 4644/4885

“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.