SCHEMBL7109313

SCHEMBL7109313

COc1ccc(C2CSC(NNC3=NC(c4cccc(Br)c4)CS3)=N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.35
KDM1A O60341 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPY1R P25929 1/20 0.33

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
SCHEMBL7109309 0.84 KDM1A (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7110631 0.84 ALDH1A1 (0.35) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7110629 0.82 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7110957 0.75 RORC (0.31) RORCNPY1R
SCHEMBL7112812 0.71 HDAC3 (0.33) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7110961 0.71 HDAC3 (0.33) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7569169 0.70 RAB9A (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL6254095 0.69 KDM1A (0.49) ALDH1A1MAPTRAB9AKDM1AL3MBTL1
SCHEMBL6254097 0.69 KDM1A (0.49) ALDH1A1MAPTRAB9AKDM1AL3MBTL1
SCHEMBL10271980 0.69 KDM1A (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299103-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP claimed
WO-2001093867-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO claimed
EP-1299103-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof AVENTIS PHARMA S.A. (FR) 2002-02-14 US disclosed
WO-2001093867-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 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-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof ALK, QDPR, CYP3A7 ALDH1A1 22/4885MAPT 2212/4885NPC1 2358/4885

“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.