SCHEMBL480260

SCHEMBL480260

COc1cncc(-c2ccc(C(C)(c3ccc(-c4noc(CN5CCCC5)n4)cn3)C(C)C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 5/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL480195 0.99 ALOX5AP (0.52) ALOX5APSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL480274 0.94 ALOX5AP (0.51) ALOX5APSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL480391 0.93 ALOX5AP (0.53) ALOX5APSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL480157 0.90 ALOX5AP (0.53) ALOX5APSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL480225 0.90 ALOX5AP (0.53) ALOX5APSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL480217 0.87 ALOX5AP (0.60) ALOX5APSMN1; SMN2MAPTLMNATSHR
SCHEMBL480248 0.82 ALOX5AP (0.57) ALOX5APSMN1; SMN2MAPTTSHRPOLB
SCHEMBL480530 0.82 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL480440 0.82 ALOX5AP (0.55) ALOX5APSMN1; SMN2MAPTHTTLMNA
SCHEMBL480247 0.81 ALOX5AP (0.66) ALOX5APSMN1; SMN2NPC1RAB9AMAPT

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 6 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 claimed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP claimed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US claimed
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 14/4885SMN1; SMN2 4411/4885NPC1 643/4885

“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.