SCHEMBL161259

SCHEMBL161259

COC(=O)C(C)(C)Cc1ncc(-c2ccc(N)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
HDAC1 Q13547 6/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC3 O15379 5/20 0.43
HDAC4 P56524 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 2/20 0.41
NOTUM Q6P988 2/20 0.41

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
SCHEMBL164057 0.84 CYP2C19 (0.49) RXRARXRBRXRGHDAC1HDAC2
SCHEMBL161470 0.82 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL158346 0.82 CCNB2 (0.46) RXRARXRBRXRGRAB9AMEN1
SCHEMBL162482 0.80 EPHX2 (0.45) RAB9AMEN1KMT2ANPC1CLK1
SCHEMBL162967 0.80 TRPV1 (0.47) HDAC3HDAC11HDAC8HDAC6LMNA
SCHEMBL160687 0.80 NPC1 (0.48) RXRARXRBRXRGRAB9ANPC1
SCHEMBL162141 0.77 MEN1 (0.45) RAB9AMEN1KMT2ANPC1CLK1
SCHEMBL7895462 0.75 RAB9A (0.47) RXRARXRBRXRGHDAC1HDAC2
SCHEMBL1617734 0.73 RAB9A (0.51) RXRARXRBRXRGHDAC1HDAC2
SCHEMBL163218 0.72 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7

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
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 RXRA 2497/4885RXRB 2885/4885RXRG 2762/4885

“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.