SCHEMBL985698

SCHEMBL985698

COCCN1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4ccncc4s3)nc(-c3ccccc3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 2/20 0.40
ATR Q13535 2/20 0.39
P4HTM Q9NXG6 1/20 0.39
LMNA P02545 2/20 0.38
PKMYT1 Q99640 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAP3K7 O43318 1/20 0.36

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
Hydrochloric Acid SCHEMBL985714 0.99 P2RY12 (0.45) P2RY12HPGDMAPTRXFP1TP53
SCHEMBL12923322 0.87 HPGD (0.46) P2RY12HPGDMAPTRXFP1TP53
SCHEMBL983730 0.86 P2RY12 (0.46) P2RY12MAPTRXFP1TP53LMNA
Hydrochloric Acid SCHEMBL985216 0.86 HPGD (0.45) P2RY12HPGDMAPTRXFP1TP53
SCHEMBL985147 0.86 HPGD (0.48) P2RY12HPGDMAPTTP53LMNA
SCHEMBL12923315 0.86 HPGD (0.48) HPGDALDH1A1
Hydrochloric Acid SCHEMBL982223 0.85 HPGD (0.47) HPGDALDH1A1
SCHEMBL985048 0.81 HPGD (0.48) P2RY12HPGDMAPTRXFP1TP53
SCHEMBL12923334 0.80 HPGD (0.45) P2RY12HPGDMAPTRXFP1TP53
SCHEMBL12923320 0.80 HPGD (0.47) HPGDMAPTRXFP1TP53LMNA

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 P2RY12 1151/4885HPGD 230/4885MAPT 550/4885

“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.