SCHEMBL981610

SCHEMBL981610

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.56
MAPT P10636 3/20 0.48
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
P4HTM Q9NXG6 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL985848 0.91 P2RY12 (0.57) P2RY12MAPTLMNAKDM4EMAPK1
SCHEMBL981374 0.81 MAP4K4 (0.41) P2RY12NPC1P4HTMKMT2AHTR1A
SCHEMBL985562 0.81 LMNA (0.46) P2RY12LMNAKDM4EALDH1A1P4HTM
SCHEMBL2927049 0.78 HPGD (0.67) P2RY12MAPTLMNAKDM4EMAPK1
SCHEMBL27451576 0.77 KDM4E (0.58) P2RY12MAPTLMNAKDM4EMAPK1
SCHEMBL2902905 0.76 HTT (0.54) P2RY12MAPTLMNAKDM4EMAPK1
SCHEMBL981752 0.76 HTT (0.74) P2RY12MAPTLMNAKDM4EMAPK1
SCHEMBL6394883 0.76 HPGD (0.63) P2RY12MAPTLMNAKDM4EMAPK1
SCHEMBL983730 0.76 P2RY12 (0.46) P2RY12MAPTLMNAKDM4EMAPK1
SCHEMBL985698 0.75 P2RY12 (0.45) P2RY12MAPTLMNAKDM4EALDH1A1

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 6 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
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO 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 1151/4885MAPT 550/4885LMNA 2088/4885

“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.