SCHEMBL360187

SCHEMBL360187

O=C(O)COCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.47
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.43
CYP19A1 P11511 2/20 0.43
KMT2A Q03164 2/20 0.41
CYP17A1 P05093 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8233855 0.82 GRM5 (0.46) GRM5MAOBCYP19A1KMT2ACYP17A1
SCHEMBL231282 0.81 TSHR (0.61) GRM5KMT2AALDH1A1
SCHEMBL28750888 0.81 FFAR4 (0.45) CYP19A1ALDH1A1
SCHEMBL10901370 0.80 L3MBTL1 (0.59) GRM5POLBCYP19A1KMT2AKDM4E
SCHEMBL24937509 0.79 ALDH1A1 (0.48) GRM5POLBCYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL7053203 0.79 TSHR (0.58) GRM5KMT2AALDH1A1
SCHEMBL5040591 0.79 CA2 (0.56) KMT2AALDH1A1
SCHEMBL4226282 0.79 TSHR (0.58) GRM5KMT2AALDH1A1
SCHEMBL19002293 0.78 GRM5 (0.43) GRM5CYP19A1CYP17A1KDM4E
SCHEMBL361358 0.78 NAPRT (0.61) GRM5CYP19A1KMT2ACYP17A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 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-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators GRM5, GRM1, GRIN1 GRM5 1/4885POLB 4131/4885MAOB 2543/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A GRM5 2005/4885POLB 118/4885MAOB 4400/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A GRM5 2005/4885POLB 118/4885MAOB 4400/4885

“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.