SCHEMBL2145476

SCHEMBL2145476

O=C(O)c1oc(Sc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
NPSR1 Q6W5P4 5/20 0.43
HTT P42858 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
XBP1 P17861 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
AGTR1 P30556 1/20 0.35
RAB9A P51151 1/20 0.35
CXCL12 P48061 1/20 0.35
DGAT1 O75907 1/20 0.34
EDNRA P25101 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2145118 0.79 HPGD (0.48) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2447220 0.74 TSHR (0.59) NPSR1KMT2AMEN1XBP1GAA
SCHEMBL3820702 0.72 SIRT1 (0.41) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL2145509 0.70 ELANE (0.44) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL2145510 0.70 ELANE (0.44) MAPTHTTKMT2AMEN1SMN1; SMN2
SCHEMBL2379565 0.70 DGAT1 (0.31) DGAT1
SCHEMBL2145189 0.69 DGAT1 (0.33) DGAT1
SCHEMBL2145328 0.69 ALDH1A1 (0.48) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL595942 0.69 KDM4E (0.44) MAPTNPSR1HTTCYP1A2CYP2C9
SCHEMBL13366320 0.67 PIM1 (0.33) CYP1A2

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 6 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
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 MAPT 2177/4885NPSR1 3760/4885HTT 1111/4885

“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.