SCHEMBL10196913

SCHEMBL10196913

COC(=O)c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C(C)C)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.64
PARP10 Q53GL7 1/20 0.48
ADAMTS4 O75173 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MAPK14 Q16539 6/20 0.43
SMO Q99835 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.42
VNN1 O95497 1/20 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
SCHEMBL704993 0.94 ALOX5AP (0.61) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL2248223 0.90 ALOX5AP (0.55) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL480305 0.84 ALOX5AP (0.69) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL708920 0.84 ALOX5AP (0.59) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL480396 0.84 ALOX5AP (0.77) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL14275821 0.82 ALOX5AP (0.66) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL13262236 0.82 ALOX5AP (0.66) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL15136278 0.82 ALOX5AP (0.47) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL708520 0.82 ALOX5AP (0.58) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL2999279 0.81 PARP10 (0.57) ALOX5APPARP10MAPK14SMOMEN1

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
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 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 (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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 14/4885PARP10 988/4885ADAMTS4 1238/4885

“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.