SCHEMBL162491

SCHEMBL162491

CCOc1cc(COC)cc(C(=O)Nc2ccc(-c3cnc(CCC(=O)O)s3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
FFAR1 O14842 5/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL160629 0.93 KMT2A (0.43) MEN1KMT2ALMNANPC1HTT
SCHEMBL162225 0.78 SMN1; SMN2 (0.54) MEN1KMT2ALMNAHTTTSHR
SCHEMBL158818 0.76 TRPV1 (0.51) NPC1NR1H4RAB9A
SCHEMBL162257 0.76 DGAT1 (0.57) MEN1KMT2ANPC1NR1H4CASP3
SCHEMBL161479 0.75 NR1H4 (0.61) NR1H4
SCHEMBL158605 0.72 SMN1; SMN2 (0.53) MEN1KMT2ALMNANPC1HTT
SCHEMBL163011 0.72 PLAU (0.55) MEN1KMT2ANPC1POLBCASP3
SCHEMBL164815 0.72 NR1H4 (0.53) NPC1NR1H4RAB9A
SCHEMBL160317 0.71 TRPV1 (0.48) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL158827 0.70 PTPN1 (0.51) FFAR1NR1H4POLB

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 MEN1 2803/4885KMT2A 2187/4885LMNA 2076/4885

“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.