SCHEMBL2145708

SCHEMBL2145708

COc1ccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)O)o3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
DGAT1 O75907 6/20 0.44
MYC P01106 1/20 0.42
PROKR1 Q8TCW9 4/20 0.41
PRKDC P78527 1/20 0.40
HSD11B1 P28845 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 2/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2145318 0.89 DGAT1 (0.45) LMNADGAT1PROKR1TP53RAB9A
SCHEMBL2145954 0.88 DGAT1 (0.48) DGAT1PROKR1RAB9A
SCHEMBL2145775 0.88 DGAT1 (0.50) DGAT1HSD11B1TP53DRD2MAPT
SCHEMBL2145224 0.88 DGAT1 (0.54) ALDH1A1DGAT1
SCHEMBL2145228 0.88 DGAT1 (0.54) ALDH1A1DGAT1
SCHEMBL2145556 0.88 DGAT1 (0.54) ALDH1A1DGAT1
SCHEMBL2145685 0.84 DGAT1 (0.45) DGAT1PROKR1DRD2DRD1DRD4
SCHEMBL2145499 0.82 DGAT1 (0.45) DGAT1MYCPROKR1DRD2DRD1
SCHEMBL12246295 0.81 DGAT1 (0.55) DGAT1RAB9A
SCHEMBL2145512 0.81 DGAT1 (0.46) DGAT1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
EP-2346853-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-07-27 EP disclosed
WO-2010059606-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059606-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT ALDH1A1 912/4885LMNA 3799/4885HPGD 845/4885

“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.