SCHEMBL2145146

SCHEMBL2145146

COc1ccccc1C1CCN(c2nc(C(F)(F)F)c(C(=O)O)o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
DGAT1 O75907 4/20 0.49
RBP4 P02753 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SCD O00767 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 3/20 0.42
NTSR1 P30989 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL2145685 0.88 DGAT1 (0.45) MEN1KMT2ADGAT1
SCHEMBL12246291 0.86 DGAT1 (0.49) DGAT1RBP4
SCHEMBL2380357 0.85 DGAT1 (0.50) DGAT1RBP4CHRM4
SCHEMBL2145686 0.84 DGAT1 (0.62) DGAT1RBP4
SCHEMBL2145775 0.82 DGAT1 (0.50) DGAT1RBP4MAPT
SCHEMBL2145860 0.81 DGAT1 (0.49) DGAT1RBP4MAPTCHRM4
SCHEMBL2145504 0.80 DGAT1 (0.55) DGAT1
SCHEMBL12246295 0.80 DGAT1 (0.55) DGAT1RBP4
SCHEMBL12246277 0.79 DGAT1 (0.52) DGAT1RBP4
SCHEMBL12246303 0.78 DGAT1 (0.51) DGAT1RBP4

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-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

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 MEN1 4395/4885KMT2A 730/4885DGAT1 2/4885

“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.