SCHEMBL3000422

SCHEMBL3000422

CC(C)C(C)(c1ccc(OCc2ncccn2)cc1)c1ccc(-c2nnn(C[C@H]3CCNC3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 2/20 0.35
ALOX5AP P20292 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2997742 1.00 NPC1 (0.36) NPC1RAB9AMAOBALOX5APRECQL
SCHEMBL13248368 1.00 NPC1 (0.36) NPC1RAB9AMAOBALOX5APRECQL
SCHEMBL3001003 0.82 AOC3 (0.46) NPC1RAB9AMAOBALOX5APRECQL
SCHEMBL2993029 0.79 NPC1 (0.52) NPC1RAB9AMAOBALOX5APRECQL
SCHEMBL2997565 0.77 NPC1 (0.50) NPC1RAB9AMAOBALOX5APRECQL
SCHEMBL2246968 0.73 NPC1 (0.41) NPC1RAB9AMAOBALOX5APRECQL
SCHEMBL2243764 0.72 ALOX5AP (0.53) NPC1RAB9AMAOBALOX5APRECQL
SCHEMBL5800050 0.72 MAOB (0.39) NPC1RAB9AMAOBALOX5APRECQL
SCHEMBL3002044 0.71 ALOX5AP (0.43) NPC1RAB9AALOX5APTDP1LMNA
Ammonia Solution, Strong SCHEMBL2992348 0.69 ALOX5AP (0.41) ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B NPC1 603/4885RAB9A 4316/4885MAOB 1032/4885

“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.