SCHEMBL3136330

SCHEMBL3136330

Cc1ccc2oc(-c3cc(Br)ccc3OCc3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CASP3 P42574 3/20 0.50
SENP7 Q9BQF6 3/20 0.50
SENP6 Q9GZR1 3/20 0.50
NPC1 O15118 3/20 0.50
SENP8 Q96LD8 2/20 0.50
POLB P06746 1/20 0.50
MAOB P27338 1/20 0.49
SGMS2 Q8NHU3 2/20 0.47
PTGER1 P34995 7/20 0.45
MAPT P10636 2/20 0.45
ALOX5 P09917 1/20 0.45
AGPAT2 O15120 1/20 0.44
LRRK2 Q5S007 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL30835032 0.88 SGMS2 (0.52) KDM4EHPGDNPC1SGMS2PTGER1
SCHEMBL19831028 0.88 SGMS2 (0.52) KDM4EHPGDNPC1SGMS2PTGER1
SCHEMBL3138005 0.87 HPGD (0.50) KDM4EHPGDRAB9ASMN1; SMN2CASP3
SCHEMBL3130811 0.86 SGMS2 (0.43) KDM4ERAB9ANPC1MAOBSGMS2
SCHEMBL3137253 0.83 RAB9A (0.46) KDM4EHPGDRAB9ASMN1; SMN2CASP3
SCHEMBL3137262 0.83 RAB9A (0.46) KDM4EHPGDRAB9ASMN1; SMN2CASP3
SCHEMBL4544538 0.80 HPGD (0.50) KDM4EHPGDRAB9ASMN1; SMN2CASP3
SCHEMBL17817809 0.78 SGMS2 (0.52) KDM4EHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL4502713 0.78 ALOX5 (0.49) KDM4EHPGDRAB9ASMN1; SMN2CASP3
SCHEMBL3140942 0.77 PTGES (0.58) KDM4EHPGDPOLBMAPTAGPAT2

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 6 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
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 KDM4E 1264/4885HPGD 411/4885RAB9A 3680/4885
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 KDM4E 1264/4885HPGD 411/4885RAB9A 3680/4885

“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.