SCHEMBL708520

SCHEMBL708520

CC(C)C(C)(c1ccc(C(=N)NO)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.58
PARP10 Q53GL7 1/20 0.40
ADAMTS4 O75173 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAPK14 Q16539 6/20 0.36
SMO Q99835 6/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3000355 0.90 ALOX5AP (0.52) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL704993 0.85 ALOX5AP (0.61) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL708920 0.85 ALOX5AP (0.59) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL9924109 0.84 ALOX5AP (0.63) ALOX5APPARP10ADAMTS4MAOB
SCHEMBL708519 0.83 ALOX5AP (0.58) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL708518 0.83 ALOX5AP (0.58) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL9924124 0.83 ALOX5AP (0.58) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL708956 0.83 ALOX5AP (0.62) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL9924108 0.82 ALOX5AP (0.59) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL14397112 0.82 ALOX5AP (0.61) ALOX5APPARP10ADAMTS4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885PARP10 916/4885ADAMTS4 1701/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885PARP10 916/4885ADAMTS4 1701/4885

“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.