SCHEMBL985052

SCHEMBL985052

C[C@@H]1CN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
POLB P06746 3/20 0.44
HTT P42858 2/20 0.44
BLM P54132 1/20 0.44
MAPT P10636 5/20 0.42
THRB P10828 2/20 0.42
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 3/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
AHR P35869 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL12923376 0.88 MAPT (0.45) KDM4EPOLBHTTMAPTTHRB
Hydrochloric Acid SCHEMBL986333 0.88 MAPT (0.45) KDM4EPOLBHTTMAPTTHRB
SCHEMBL984862 0.88 HDAC1 (0.43) KDM4EPOLBHTTMAPTTHRB
Hydrochloric Acid SCHEMBL984206 0.87 HDAC1 (0.42) KDM4EPOLBHTTMAPTTHRB
SCHEMBL12923461 0.86 MAPT (0.41) KDM4EPOLBHTTMAPTTHRB
Hydrochloric Acid SCHEMBL984682 0.86 MAPT (0.41) KDM4EPOLBHTTMAPTTHRB
SCHEMBL12923371 0.86 MAPT (0.41) KDM4EPOLBHTTMAPTTHRB
Hydrochloric Acid SCHEMBL1035709 0.85 MAPT (0.40) KDM4EPOLBHTTMAPTTHRB
SCHEMBL982438 0.83 ALDH1A1 (0.47) KDM4EPOLBHTTMAPTTHRB
SCHEMBL13855595 0.83 ALDH1A1 (0.47) KDM4EPOLBHTTMAPTTHRB

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 KDM4E 3193/4885POLB 2703/4885HTT 287/4885

“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.