SCHEMBL708519

SCHEMBL708519

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 0.45
ADAMTS4 O75173 1/20 0.37
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNF P01375 1/20 0.36
KLF5 Q13887 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL9924124 1.00 ALOX5AP (0.58) ALOX5APPARP10ADAMTS4GAARAB9A
SCHEMBL708518 1.00 ALOX5AP (0.58) ALOX5APPARP10ADAMTS4GAARAB9A
SCHEMBL3000357 0.90 PARP10 (0.53) ALOX5APPARP10ADAMTS4GAARAB9A
SCHEMBL13248398 0.90 PARP10 (0.53) ALOX5APPARP10ADAMTS4GAARAB9A
SCHEMBL14562449 0.90 PARP10 (0.53) ALOX5APPARP10ADAMTS4GAARAB9A
SCHEMBL9924123 0.84 ALOX5AP (0.52) ALOX5APPARP10GAARAB9ANPC1
SCHEMBL9924109 0.84 ALOX5AP (0.63) ALOX5APPARP10ADAMTS4GAARAB9A
SCHEMBL708920 0.83 ALOX5AP (0.59) ALOX5APPARP10ADAMTS4HDAC3HDAC4
SCHEMBL704993 0.83 ALOX5AP (0.61) ALOX5APPARP10ADAMTS4MAPTHDAC3
SCHEMBL708520 0.83 ALOX5AP (0.58) ALOX5APPARP10ADAMTS4HDAC3HDAC4

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.