SCHEMBL497217

SCHEMBL497217

c1cnc(-c2nnco2)nn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.44
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL28394924 0.82 NOTUM (0.50) NOTUMTSHRTLR8KDM4E
SCHEMBL12906161 0.72 NOTUM (0.59) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL5553224 0.72
SCHEMBL29522058 0.72
SCHEMBL24920787 0.67 ALDH1A1 (0.43) NOTUMNPC1RAB9AMAPTTLR8
SCHEMBL497216 0.67
SCHEMBL6306433 0.67 NOTUM (0.39) NOTUMTSHRNPC1RAB9AMAPT
SCHEMBL5820538 0.67 NOTUM (0.43) NOTUMTSHRNPC1RAB9A
SCHEMBL24921992 0.66 MAPT (0.42) NOTUMTSHRNPC1RAB9AMAPT
SCHEMBL24921789 0.64 NPC1 (0.38) NOTUMTSHRNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855212-B2 Pyridinyl acetonitriles MERCK SERONO SA (CH) 2010-12-21 US claimed
EP-1320526-B1 PHARMACEUTICALLY ACTIVE BENZSULFONAMIDE DERIVATIVES AS INHIBITORS OF PROTEIN JUNKINASES MERCK SERONO SA (CH) 2010-08-18 EP claimed
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP claimed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 WO claimed
WO-2024074436-A1 LACTATE ENHANCING COMPOUNDS AND USES THEREOF GLIAPHARM SA (CH) 2024-04-11 WO disclosed
EP-4077308-B1 ANTI-MALARIAL AGENTS UNIV TEXAS (US) 2024-02-14 EP disclosed
US-20230372306-A1 COMPOSITIONS AND METHODS FOR DELAYING THE INCIDENCE OF LABOR XOMA (US) LLC 2023-11-23 US disclosed
US-20230277501-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2023-09-07 US disclosed
EP-4132918-A1 NEW ANTI-MALARIAL AGENTS University Of Kentucky Research Foundation (US) 2023-02-15 EP disclosed
EP-3892332-A1 NEW ANTI-MALARIAL AGENTS University Of Kentucky Research Foundation (US) 2021-10-13 EP disclosed
WO-2021191412-A1 CATHEPSIN SUBSTRATES & CATHEPSIN INHIBITORS AND USES THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-09-30 WO disclosed
EP-3884948-A1 CATHEPSIN INHIBITORS AND USES THEREOF Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2021-09-29 EP disclosed
WO-2001029028-A1 9- (PIPERAZINYLALKYL) CARBAZOLES AS BAX-MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-26 WO disclosed
EP-1094063-A1 9-(Piperazinylalkyl)carbazoles as Bax-modulators Applied Research Systems ARS Holding N.V. (AN) 2001-04-25 EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed
WO-2001023379-A1 PHARMACEUTICALLY ACTIVE SULFONYL AMINO ACID DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed
WO-2001023382-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed
EP-1088815-A1 Pharmaceutically active sulfonyl amino acid derivatives Applied Research Systems ARS Holding N.V. (AN) 2001-04-04 EP disclosed
EP-1088821-A1 Pharmaceutically active sulfonamide derivatives Applied Research Systems ARS Holding N.V. (AN) 2001-04-04 EP disclosed
EP-1088822-A1 Pharmaceutically active sulfonyl hydrazide derivatives Applied Research Systems ARS Holding N.V. (AN) 2001-04-04 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 (2 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-20230372306-A1 COMPOSITIONS AND METHODS FOR DELAYING THE INCIDENCE OF LABOR PGF, TRPV2, TRPV3 NOTUM 883/4885TSHR 1501/4885NPC1 2357/4885
US-20230277501-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION GRIN2A, CHRNA2, SYNGR2 NOTUM 2660/4885TSHR 4626/4885NPC1 277/4885

“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.