SCHEMBL2145802

SCHEMBL2145802

O=C(O)c1sc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 8/20 0.52
DGAT1 O75907 1/20 0.42
MAPT P10636 1/20 0.42
C1S P09871 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RBP4 P02753 2/20 0.39
PIN1 Q13526 1/20 0.39
GRM2 Q14416 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCD5 Q86SK9 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
SCHEMBL27665211 0.81 CNR2 (0.42) MLYCDMAPTL3MBTL1PIN1CNR2
SCHEMBL347620 0.81 ALDH1A1 (0.56) MLYCDMAPTL3MBTL1ALOX5ALDH1A1
SCHEMBL2548960 0.79 CNR2 (0.46) MAPTPIN1CNR2ALOX5ALDH1A1
SCHEMBL13366273 0.79 MLYCD (0.40) MLYCDDGAT1MAPTC1SPIN1
SCHEMBL2395169 0.78 DGAT1 (0.69) DGAT1
SCHEMBL2145953 0.77 SMN1; SMN2 (0.41) MAPTL3MBTL1RBP4PIN1CNR2
SCHEMBL2340680 0.76 PIK3CD (0.63) MAPTL3MBTL1CNR2ALOX5ALDH1A1
SCHEMBL3736844 0.75 HRH4 (0.41) CNR2
SCHEMBL3736842 0.75 HRH4 (0.41) CNR2
SCHEMBL2145686 0.74 DGAT1 (0.62) MLYCDDGAT1C1SRBP4GRM2

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
CN-102282138-A Inhibitors of diacylglycerol acyltransferase 2011-12-14 CN 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 MLYCD 202/4885DGAT1 2/4885MAPT 2177/4885

“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.