SCHEMBL160522

SCHEMBL160522

O=C=Nc1ccccc1-c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC9A1 P19634 1/20 0.33
TRPA1 O75762 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MET P08581 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
BRD4 O60885 1/20 0.31
HTR1A P08908 2/20 0.31
PTGER1 P34995 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL10960187 0.80 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL29687996 0.79 CYP3A4 (0.48) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL185120 0.79 CYP3A4 (0.48) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL28620229 0.79 CYP3A4 (0.41) CYP3A4ALDH1A1HPGDTDP1SLC9A1
SCHEMBL112824 0.78 CYP3A4 (0.56) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL692232 0.78 CYP3A4 (0.44) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL29770893 0.78 CYP3A4 (0.44) CYP3A4ALDH1A1HPGDTDP1TRPA1
Methane SCHEMBL27501832 0.77 CYP3A4 (0.47) CYP3A4ALDH1A1HPGDTDP1TRPA1
Methane SCHEMBL29088144 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL29099802 0.76 CYP3A4 (0.54) CYP3A4ALDH1A1HPGDTDP1TRPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed
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 CYP3A4 1000/4885ALDH1A1 369/4885HPGD 391/4885

“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.