SCHEMBL4925330

SCHEMBL4925330

O=C(Cc1ccccc1)Nc1ccc(-c2ccc(C(=O)C3CCCC3C(=O)O)nc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.53
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HTT P42858 1/20 0.43
CDK5 Q00535 4/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
CDK5R1 Q15078 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC8 Q9BY41 2/20 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
SCHEMBL4925313 1.00 DGAT1 (0.53) DGAT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4925325 1.00 DGAT1 (0.53) DGAT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4921483 0.85 DGAT1 (0.74) DGAT1HTTALDH1A1RAB9A
SCHEMBL4925895 0.85 DGAT1 (0.74) DGAT1HTTALDH1A1RAB9A
SCHEMBL4921488 0.85 DGAT1 (0.74) DGAT1HTTALDH1A1RAB9A
SCHEMBL4924505 0.84 DGAT1 (0.52) DGAT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4924500 0.84 DGAT1 (0.52) DGAT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4924495 0.84 DGAT1 (0.52) DGAT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4925525 0.77 HRH3 (0.49) DGAT1HDAC3HDAC1CDK5HDAC8
SCHEMBL4925511 0.77 HRH3 (0.49) DGAT1HDAC3HDAC1CDK5HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES 2008-03-13 US claimed
US-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES 2008-03-13 US disclosed
WO-2007137107-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-11-29 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-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme DGAT1, DGAT2, DLAT DGAT1 1/4885HDAC3 425/4885HDAC1 309/4885

“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.