SCHEMBL161640

SCHEMBL161640

O=C(O)CCCc1nnc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MITF O75030 1/20 0.52
XBP1 P17861 1/20 0.52
PAX8 Q06710 1/20 0.52
NOD2 Q9HC29 1/20 0.52
EPHX2 P34913 1/20 0.49
FFAR1 O14842 1/20 0.48
KDR P35968 7/20 0.48
NTRK1 P04629 3/20 0.48
NTRK2 Q16620 3/20 0.48
AURKB Q96GD4 2/20 0.48
JAK2 O60674 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48

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
SCHEMBL164156 0.90 MAPT (0.52) MAPTMEN1HTTKMT2ARAB9A
SCHEMBL163271 0.85 DGAT1 (0.58) MAPTMEN1HTTKMT2ARAB9A
SCHEMBL163546 0.80 MEN1 (0.54) MAPTMEN1KMT2ARAB9AFFAR1
SCHEMBL165221 0.79 DDX3X (0.56) MAPTMEN1HTTKMT2ARAB9A
SCHEMBL163790 0.78 DGAT1 (0.60) MAPTMEN1HTTKMT2ARAB9A
SCHEMBL164904 0.77 SMN1; SMN2 (0.51) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL158826 0.75 DGAT1 (0.56) MAPTMEN1HTTKMT2ARAB9A
SCHEMBL15022137 0.74 NR1H4 (0.54) MEN1KMT2ARAB9ASMN1; SMN2FFAR1
SCHEMBL160757 0.74 NR1H4 (0.67) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL161606 0.73 TRPV1 (0.50) MAPTMEN1HTTKMT2ASMN1; SMN2

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
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 MAPT 137/4885MEN1 2803/4885HTT 574/4885

“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.