SCHEMBL9986715

SCHEMBL9986715

COC(NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.51
POLB P06746 2/20 0.49
KCNN4 O15554 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 6/20 0.45
HDAC3 O15379 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 1/20 0.44
HDAC1 Q13547 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL15710043 0.91 JAK2 (0.47) CES1POLBKCNN4CYP2C9CYP3A4
SCHEMBL15710076 0.87 NAMPT (0.48) CYP3A4RAB9AHDAC6NPC1GAA
SCHEMBL28128466 0.79 POLB (0.53) CES1POLBTSHRCYP2C9RAB9A
SCHEMBL8511582 0.77 POLB (0.51) POLBKCNN4TSHRCYP2C9RAB9A
SCHEMBL8511586 0.77 POLB (0.51) POLBKCNN4TSHRCYP2C9RAB9A
SCHEMBL8511583 0.77 POLB (0.51) POLBKCNN4TSHRCYP2C9RAB9A
SCHEMBL3039120 0.76 POLB (0.58) POLBCYP2C9CYP3A4CYP2C19NPSR1
SCHEMBL10788978 0.75 POLB (0.53) CES1POLBTSHRCYP2C9RAB9A
SCHEMBL9134669 0.75 HDAC3 (0.52) POLBCYP2C9CYP3A4CYP2C19NPSR1
SCHEMBL16284718 0.74 KCNN4 (0.47) CES1POLBKCNN4TSHRCYP2C9

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-20140142117-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS, INC. 2014-05-22 US disclosed
US-8394810-B2 Reverse amide compounds as protein deacetylase inhibitors and methods of use thereof ACETYLON PHARMACEUTICALS (US) 2013-03-12 US disclosed
US-20110300134-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-12-08 US 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 (2 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-20110300134-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 CES1 1481/4885POLB 875/4885KCNN4 4671/4885
US-20140142117-A1 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC3 CES1 1481/4885POLB 875/4885KCNN4 4671/4885

“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.