SCHEMBL4356142

SCHEMBL4356142

O=C1N=C(N2CCN(c3ncccc3Cl)CC2)S/C1=C\c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ENPP2 Q13822 2/20 0.50
TRPA1 O75762 1/20 0.50
DCTPP1 Q9H773 1/20 0.48
HTT P42858 1/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2B Q13224 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 1/20 0.47
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4356144 1.00 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1NPSR1ENPP2
SCHEMBL4364677 0.88 ALDH1A1 (0.65) ALDH1A1MAPTENPP2DCTPP1HTT
SCHEMBL4364671 0.88 ALDH1A1 (0.65) ALDH1A1MAPTENPP2DCTPP1HTT
SCHEMBL4358781 0.87 MAPT (0.65) ALDH1A1MAPTMAPK1NPSR1ENPP2
SCHEMBL4358777 0.87 MAPT (0.65) ALDH1A1MAPTMAPK1NPSR1ENPP2
SCHEMBL4354015 0.87 ENPP2 (0.53) ALDH1A1MAPTMAPK1NPSR1ENPP2
SCHEMBL4354018 0.87 ENPP2 (0.53) ALDH1A1MAPTMAPK1NPSR1ENPP2
SCHEMBL4352362 0.85 HTT (0.68) ALDH1A1MAPTMAPK1NPSR1ENPP2
SCHEMBL4352360 0.85 HTT (0.68) ALDH1A1MAPTMAPK1NPSR1ENPP2
SCHEMBL4355021 0.83 NPC1 (0.49) ALDH1A1MAPTENPP2HTTGRIN1

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 3 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
US-20090215758-A1 Use of 2,5-Disubstituted Thiazol-4-One Derivatives in Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US 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 ALDH1A1 284/4885MAPT 1470/4885MAPK1 3105/4885

“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.