SCHEMBL3131700

SCHEMBL3131700

Cc1ccc2oc(-c3ccc(N)c(Br)c3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 0.66
NPC1 O15118 14/20 0.66
KDM4E B2RXH2 14/20 0.66
SMN1; SMN2 Q16637 14/20 0.66
ALDH1A1 P00352 13/20 0.66
HPGD P15428 12/20 0.66
HSD17B10 Q99714 8/20 0.66
TP53 P04637 6/20 0.66
MAPT P10636 10/20 0.63
NFKB1 P19838 5/20 0.63
NFKB2 Q00653 5/20 0.63
RELA Q04206 5/20 0.63
L3MBTL1 Q9Y468 3/20 0.59
CASP3 P42574 4/20 0.58
SENP7 Q9BQF6 4/20 0.58
SENP6 Q9GZR1 4/20 0.58
SENP8 Q96LD8 3/20 0.58
POLB P06746 2/20 0.58
ALOX5 P09917 1/20 0.58
MMP2 P08253 1/20 0.56

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
SCHEMBL12643200 0.89 RAB9A (0.69) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2491813 0.83 RAB9A (0.69) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL14947173 0.82 ALDH1A1 (0.96) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL474369 0.81 RAB9A (0.82) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL31154077 0.81 RAB9A (0.82) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL22103734 0.81 NPC1 (0.81) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2245161 0.81 RAB9A (0.66) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15047797 0.80 ALDH1A1 (0.93) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3288386 0.80 ALDH1A1 (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13171393 0.78 ALOX5 (0.78) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
EP-2102177-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071944-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO 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 4501/4885KDM4E 1264/4885

“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.