SCHEMBL4346307

SCHEMBL4346307

O=C(NC1=NC(=O)C(=CC=Cc2ccccc2)S1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
ALOX5 P09917 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIK1 P39086 1/20 0.40
THRB P10828 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL4351701 0.80 MEN1 (0.43) NPC1RAB9AMAPTALOX5MEN1
SCHEMBL4351703 0.80 MEN1 (0.43) NPC1RAB9AMAPTALOX5MEN1
SCHEMBL4351314 0.80 ALDH1A1 (0.47) NPC1RAB9AMAPTALOX5MEN1
SCHEMBL4351318 0.80 ALDH1A1 (0.47) NPC1RAB9AMAPTALOX5MEN1
SCHEMBL14694010 0.79 ALOX5 (0.44) NPC1RAB9AMAPTALOX5MEN1
SCHEMBL5046637 0.67 NPC1 (0.74) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL5046634 0.67 NPC1 (0.74) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL7759976 0.66 MEN1 (0.68) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1462231 0.64 GRIK1 (0.72) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4352670 0.64 EPHX2 (0.52) NPC1RAB9AMAPTALOX5MEN1

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 NPC1 326/4885RAB9A 3151/4885MAPT 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.