SCHEMBL3138271

SCHEMBL3138271

Cc1c(Cl)cccc1N(C)C(=O)c1cc(N)cc(-c2nc3cc(C(C)(C)C)ccc3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 12/20 0.41
TP53 P04637 8/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
AGPAT2 O15120 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL3138804 0.87 PPARG (0.43) RAB9ANPC1MAPTTP53HDAC3
SCHEMBL3145582 0.81 PTGES (0.52) MAPTTP53RXFP1SMN1; SMN2
SCHEMBL4509718 0.71 NPC1 (0.69) RAB9ANPC1GFERMAPTTP53
SCHEMBL3135925 0.69 MAPT (0.51) RAB9ANPC1MAPTTP53HDAC3
SCHEMBL1675285 0.69 HDAC6 (0.55) RAB9ANPC1GFERMAPTTP53
SCHEMBL3137680 0.68 NPC1 (0.47) RAB9ANPC1GFERMAPTTP53
SCHEMBL2242200 0.67 RAB9A (0.84) RAB9ANPC1GFERMAPTTP53
SCHEMBL11374587 0.67 HDAC6 (0.67) RAB9ANPC1GFERMAPTTP53
SCHEMBL3128346 0.66 RAB9A (0.47) RAB9ANPC1GFERMAPTTP53
SCHEMBL11645315 0.66 NPC1 (0.56) RAB9ANPC1GFERMAPTTP53

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 RAB9A 3680/4885NPC1 4501/4885GFER 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.