SCHEMBL2145658

SCHEMBL2145658

O=C(O)c1sc(N2CCCCC2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ALOX5 P09917 1/20 0.45
CNR2 P34972 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLA P06280 2/20 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
SCHEMBL2548960 0.98 CNR2 (0.46) ALDH1A1SMN1; SMN2HTTTDP1NPSR1
SCHEMBL2340680 0.85 PIK3CD (0.63) ALDH1A1SMN1; SMN2HTTALOX5CNR2
SCHEMBL27665211 0.83 CNR2 (0.42) ALDH1A1SMN1; SMN2HTTCNR2PIK3CD
SCHEMBL12246273 0.80 ALDH1A1 (0.45) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL2545715 0.78 ALDH1A1 (0.45) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL2145953 0.78 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HTTCNR2PIK3CD
SCHEMBL2145802 0.78 MLYCD (0.52) ALDH1A1SMN1; SMN2HTTTDP1NPSR1
SCHEMBL16404868 0.76 PIK3CD (0.72) ALDH1A1SMN1; SMN2HTTTDP1NPSR1
SCHEMBL3736844 0.76 HRH4 (0.41) CNR2PIK3CDPIK3CAPIK3CB
SCHEMBL3736842 0.76 HRH4 (0.41) CNR2PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716312-B2 Inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORPORATION (US) 2014-05-06 US disclosed
CN-102282138-A Inhibitors of diacylglycerol acyltransferase 2011-12-14 CN disclosed
CN-102281919-A Inhibitors of diacylglycerol acyltransferase 2011-12-14 CN disclosed
EP-2367598-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-09-28 EP disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-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
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-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059602-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
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 (2 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 912/4885SMN1; SMN2 4657/4885HTT 1111/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT ALDH1A1 670/4885SMN1; SMN2 4679/4885HTT 1525/4885

“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.