SCHEMBL981734

SCHEMBL981734

CCOC(=O)c1cc(OCCBr)cc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RY12 Q9H244 10/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CCR6 P51684 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL2899930 0.85 MCL1 (0.52) KDM4EALDH1A1
SCHEMBL985081 0.80 PPARG (0.56) KDM4EP2RY12NPC1RAB9AALDH1A1
SCHEMBL2909201 0.80 P2RY12 (0.49) KDM4EP2RY12ALDH1A1
SCHEMBL16724449 0.79 P2RY12 (0.51) MAPTKDM4EMAPK1P2RY12NPC1
SCHEMBL4267571 0.79 P2RY12 (0.45) MAPK1P2RY12
SCHEMBL986977 0.78 CCR6 (0.55) MAPTKDM4EMAPK1TDP1L3MBTL1
SCHEMBL4265091 0.78 P2RY12 (0.49) P2RY12
SCHEMBL1200252 0.77 GABRA2 (0.55) MAPTKDM4EMAPK1TDP1L3MBTL1
SCHEMBL4271936 0.77 NPC1 (0.55) KDM4EMAPK1P2RY12NPC1RAB9A
SCHEMBL29214354 0.77 NPC1 (0.57) MAPTKDM4EMAPK1TDP1L3MBTL1

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 MAPT 550/4885KDM4E 3193/4885MAPK1 1566/4885

“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.