SCHEMBL985147

SCHEMBL985147

O=C(Nc1ccccc1-c1nc2ccncc2s1)c1cc(N2CCOCC2)nc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RY12 Q9H244 1/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CD O00329 2/20 0.42
GSK3A P49840 1/20 0.41
PIK3CG P48736 2/20 0.41

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
SCHEMBL12923315 0.90 HPGD (0.48) HPGDALDH1A1
Hydrochloric Acid SCHEMBL982223 0.90 HPGD (0.47) HPGDALDH1A1
SCHEMBL12923322 0.88 HPGD (0.46) HPGDPOLBMAPTTSHRMAPK1
Hydrochloric Acid SCHEMBL985216 0.88 HPGD (0.45) HPGDPOLBMAPTTSHRMAPK1
SCHEMBL985698 0.86 P2RY12 (0.45) HPGDMAPTP2RY12ALDH1A1TP53
Hydrochloric Acid SCHEMBL985714 0.85 P2RY12 (0.45) HPGDMAPTP2RY12ALDH1A1TP53
SCHEMBL981608 0.85 MAPT (0.46) HPGDHTTPOLBMAPTTSHR
SCHEMBL12923325 0.84 P2RY12 (0.47) HPGDHTTPOLBCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL985736 0.83 P2RY12 (0.46) HPGDHTTCYP1A2CYP3A4CYP2C19
SCHEMBL985706 0.83 HPGD (0.56) HPGDRAB9ANPC1POLBMAPT

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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 HPGD 230/4885HTT 287/4885RAB9A 1763/4885

“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.