SCHEMBL163218

SCHEMBL163218

COc1ccc(NC(=O)Nc2ccc(-c3cnc(CC(C)(C)C(=O)O)o3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CLK1 P49759 1/20 0.45
GFER P55789 1/20 0.45
KDM4E B2RXH2 4/20 0.44
POLB P06746 4/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44

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
SCHEMBL161470 0.92 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL161215 0.87 CCNE2 (0.48) RAB9ANPC1SMN1; SMN2CLK1GFER
SCHEMBL161351 0.85 EPHX2 (0.47) HDAC1HDAC6RAB9ANPC1CLK1
SCHEMBL160302 0.82 SMO (0.48) RAB9ANPC1SMN1; SMN2CLK1GFER
SCHEMBL158346 0.81 CCNB2 (0.46) RAB9ANPC1SMN1; SMN2CLK1GFER
SCHEMBL163084 0.80 NPC1 (0.51) RAB9ANPC1SMN1; SMN2CLK1GFER
SCHEMBL162482 0.79 EPHX2 (0.45) RAB9ANPC1SMN1; SMN2CLK1GFER
SCHEMBL162045 0.79 TRPV1 (0.49) HDAC3HDAC11HDAC8HDAC6RAB9A
SCHEMBL164467 0.78 P2RY1 (0.52) RAB9ANPC1SMN1; SMN2CLK1GFER
SCHEMBL160333 0.77 CNR1 (0.47) RAB9ANPC1SMN1; SMN2KDM4EPOLB

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 HDAC1 949/4885HDAC2 1216/4885HDAC3 688/4885

“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.