SCHEMBL4456510

SCHEMBL4456510

O=C(Nc1cccnc1)Oc1ccc(OCc2nc3ccccc3s2)cc1C1(c2ccccc2)CCCC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.74
ALOX5 P09917 5/20 0.48
EPHX2 P34913 5/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3582486 0.84 ALOX5AP (1.00) ALOX5APALOX5
SCHEMBL4319036 0.81 ALOX5AP (0.65) ALOX5APALOX5EPHX2MEN1KMT2A
SCHEMBL4330604 0.78 ALOX5AP (0.65) ALOX5APALOX5EPHX2MEN1KMT2A
SCHEMBL7544973 0.66 NPC1 (0.77) ALOX5APALOX5EPHX2MEN1KMT2A
SCHEMBL8769691 0.66 EPHX2 (0.84) ALOX5APALOX5EPHX2MEN1KMT2A
SCHEMBL8921057 0.65 NPC1 (0.57) ALOX5APALOX5EPHX2MEN1KMT2A
SCHEMBL10833882 0.65 ALOX5 (0.64) ALOX5APALOX5EPHX2MEN1KMT2A
SCHEMBL9422611 0.65 NPC1 (0.59) ALOX5EPHX2MEN1KMT2AALDH1A1
SCHEMBL7551599 0.64 NPC1 (0.76) ALOX5APALOX5EPHX2MEN1KMT2A
SCHEMBL3572346 0.64 ALOX5AP (0.72) ALOX5APALOX5

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-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 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-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B ALOX5AP 16/4885ALOX5 1/4885EPHX2 288/4885

“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.