SCHEMBL3137680

SCHEMBL3137680

CC(C)(C)c1ccc2oc(-c3cc(N)cc(COc4ccccc4Cl)c3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
GFER P55789 1/20 0.47
POLB P06746 2/20 0.45
THRB P10828 1/20 0.45
CETP P11597 4/20 0.44
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 7/20 0.41
TP53 P04637 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 3/20 0.40
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL3136459 0.85 RAB9A (0.44) NPC1RAB9APOLBTHRBCETP
SCHEMBL3128346 0.84 RAB9A (0.47) NPC1RAB9AGFERCETPMAPT
SCHEMBL3138634 0.78 PTGES (0.52) NPC1RAB9APOLBTHRBCETP
SCHEMBL4509718 0.72 NPC1 (0.69) NPC1RAB9AGFERPOLBMAPT
SCHEMBL2242200 0.71 RAB9A (0.84) NPC1RAB9AGFERPOLBMAPT
SCHEMBL2242175 0.70 NPC1 (0.65) NPC1RAB9AGFERPOLBMAPT
SCHEMBL29819658 0.70 NPC1 (0.65) NPC1RAB9AGFERPOLBMAPT
SCHEMBL29819557 0.70 NPC1 (0.65) NPC1RAB9AGFERPOLBMAPT
SCHEMBL3133366 0.70 CETP (0.50) NPC1RAB9ATHRBCETPMAPT
SCHEMBL14947174 0.69 NPC1 (0.75) NPC1RAB9AGFERPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 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-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 NPC1 4501/4885RAB9A 3680/4885GFER 2484/4885

“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.