SCHEMBL3137765

SCHEMBL3137765

Cc1ccc2oc(-c3cccc(Br)c3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.70
KDM4E B2RXH2 9/20 0.70
NPC1 O15118 9/20 0.70
SMN1; SMN2 Q16637 9/20 0.70
HPGD P15428 7/20 0.70
CASP3 P42574 3/20 0.70
SENP7 Q9BQF6 3/20 0.70
SENP6 Q9GZR1 3/20 0.70
SENP8 Q96LD8 2/20 0.70
POLB P06746 1/20 0.70
MAPT P10636 8/20 0.70
ALDH1A1 P00352 7/20 0.70
TP53 P04637 6/20 0.70
HSD17B10 Q99714 6/20 0.70
NFKB1 P19838 3/20 0.70
NFKB2 Q00653 3/20 0.70
RELA Q04206 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.67

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
SCHEMBL3401206 0.88 RAB9A (0.79) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL29858577 0.88 RAB9A (0.79) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL22103734 0.83 NPC1 (0.81) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL29362501 0.83 SMN1; SMN2 (1.00) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL152658 0.83 SMN1; SMN2 (1.00) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL30153418 0.82 RAB9A (1.00) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL2492958 0.82 RAB9A (1.00) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL27672723 0.82 RAB9A (0.70) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL27652504 0.82 KDM4E (0.70) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL2490685 0.82 NPC1 (1.00) RAB9AKDM4ENPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674145-B The preparation method of 2- aryl benzoxazoles, 2- aryl benzothiazole compound 复旦大学 2019-11-12 CN disclosed
US-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 US disclosed
EP-2102177-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 EP disclosed
WO-2008071944-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO disclosed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 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 (2 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 3680/4885KDM4E 1264/4885NPC1 4501/4885
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 RAB9A 3680/4885KDM4E 1264/4885NPC1 4501/4885

“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.