SCHEMBL2176153

SCHEMBL2176153

Cc1noc(C)c1-c1cccc2ccsc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.44
BRD2 P25440 4/20 0.44
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 7/20 0.38
HSD17B10 Q99714 4/20 0.38
ALOX15 P16050 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP2D6 P10635 3/20 0.38
TSHR P16473 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL593750 0.74 DHFR (0.55) BRD4BRD2NPC1POLBCASP3
SCHEMBL30718490 0.72 BRD4 (0.53) BRD4BRD2NPC1POLBCASP3
SCHEMBL2174718 0.71 BRD4 (0.38) BRD4BRD2NPC1POLBCASP3
SCHEMBL29805738 0.70 BRD4 (0.50) BRD4BRD2NPC1POLBCASP3
SCHEMBL28190146 0.70 BRD4 (0.60) BRD4BRD2NPC1CASP3RAB9A
SCHEMBL17124466 0.68 CYP2A6 (0.43) BRD4NPC1CASP3RAB9ASENP7
SCHEMBL17833812 0.68 BRD4 (0.53) BRD4BRD2NPC1RAB9ACYP1A2
SCHEMBL19754193 0.68 DHFR (0.51) BRD4BRD2NPC1POLBCASP3
SCHEMBL30248426 0.68 BRD4 (0.54) BRD4BRD2NPC1POLBCASP3
SCHEMBL23555392 0.67 CYP2A6 (0.42) NPC1CASP3RAB9AMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 BRD4 1000/4885BRD2 1144/4885NPC1 2662/4885

“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.