SCHEMBL2145509

SCHEMBL2145509

O=C(O)c1oc(/C=C/c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
KMT2A Q03164 6/20 0.39
P2RX3 P56373 1/20 0.39
RAB9A P51151 8/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
MAOB P27338 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
NPC1 O15118 7/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 4/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
ATM Q13315 2/20 0.37

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
SCHEMBL2145510 1.00 ELANE (0.44) ELANEKMT2AP2RX3RAB9AALDH1A1
SCHEMBL2145232 0.82 ADORA3 (0.45) KMT2AP2RX3RAB9AALDH1A1MAPT
SCHEMBL2145238 0.82 ADORA3 (0.45) KMT2AP2RX3RAB9AALDH1A1MAPT
SCHEMBL27941640 0.79 P2RX3 (0.52) ELANEKMT2AP2RX3RAB9AALDH1A1
SCHEMBL125483 0.68 PIM1 (0.38) P2RX3RAB9AMAOBCYP1A1CYP1B1
SCHEMBL28673267 0.68 RAB9A (0.45) ELANEKMT2ARAB9AALDH1A1MAPT
SCHEMBL28673263 0.68 RAB9A (0.45) ELANEKMT2ARAB9AALDH1A1MAPT
SCHEMBL595942 0.68 KDM4E (0.44) KMT2ARAB9AALDH1A1MAPTNPC1
SCHEMBL9750631 0.66 CYP1A2 (0.32)
SCHEMBL2145621 0.66 NPC1 (0.50) KMT2ARAB9AALDH1A1MAPTMEN1

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 ELANE 3564/4885KMT2A 730/4885P2RX3 3731/4885

“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.