SCHEMBL4352350

SCHEMBL4352350

COc1ccc2cc(C=C3SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.73
GRIN2B Q13224 4/20 0.73
MAPT P10636 3/20 0.60
ENPP2 Q13822 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HDAC1 Q13547 1/20 0.56
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MCHR1 Q99705 1/20 0.53
ALOX5 P09917 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL4352346 1.00 GRIN1 (0.73) GRIN1GRIN2BMAPTENPP2MEN1
SCHEMBL4352701 0.90 GRIN1 (0.74) GRIN1GRIN2BMAPTENPP2MEN1
SCHEMBL4352698 0.90 GRIN1 (0.74) GRIN1GRIN2BMAPTENPP2MEN1
SCHEMBL4356156 0.88 DCTPP1 (0.64) GRIN1GRIN2BMAPTENPP2MEN1
SCHEMBL4356157 0.88 DCTPP1 (0.64) GRIN1GRIN2BMAPTENPP2MEN1
SCHEMBL4364826 0.82 GRIN1 (0.80) GRIN1GRIN2BMAPTENPP2MEN1
SCHEMBL4364828 0.82 GRIN1 (0.80) GRIN1GRIN2BMAPTENPP2MEN1
SCHEMBL4349885 0.82 GRIN1 (0.67) GRIN1GRIN2BMAPTENPP2KMT2A
SCHEMBL4349888 0.82 GRIN1 (0.67) GRIN1GRIN2BMAPTENPP2KMT2A
SCHEMBL4350265 0.81 GRIN1 (0.72) GRIN1GRIN2BMAPTENPP2MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 EP claimed
US-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US claimed
EP-1890695-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2008-02-27 EP claimed
WO-2006122777-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 EP disclosed
US-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US disclosed
EP-1890695-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2008-02-27 EP disclosed
WO-2006122777-A2 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS Grünenthal GmbH (DE) 2006-11-23 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 (1 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-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs ABCB1, ABCG2, SLC5A2 GRIN1 1485/4885GRIN2B 1366/4885MAPT 1470/4885

“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.