SCHEMBL3136773

SCHEMBL3136773

Cc1ccc2oc(-c3cc(Br)ccc3O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 8/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 6/20 0.54
HPGD P15428 6/20 0.54
HSD17B10 Q99714 4/20 0.54
TP53 P04637 4/20 0.54
MAPT P10636 6/20 0.53
XBP1 P17861 1/20 0.53
HIF1A Q16665 1/20 0.53
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
KDM6B O15054 1/20 0.52
KDM6A O15550 1/20 0.52
GAA P10253 3/20 0.52
CASP3 P42574 3/20 0.52
SENP7 Q9BQF6 3/20 0.52
SENP6 Q9GZR1 3/20 0.52
SENP8 Q96LD8 2/20 0.52

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
SCHEMBL4500826 0.83 KDM4E (0.54) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3136152 0.83 MAPT (0.50) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL196301 0.81 KDM4E (0.63) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1550678 0.81 KDM4E (0.63) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1523547 0.81 KDM6B (0.78) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3142243 0.81 KDM4E (0.55) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1549478 0.80 KDM4E (0.61) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL18065781 0.79 KDM6B (0.57) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3134187 0.78 KDM6B (0.73) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4502713 0.78 ALOX5 (0.49) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1

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 1264/4885ALDH1A1 1647/4885RAB9A 3680/4885
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 KDM4E 1264/4885ALDH1A1 1647/4885RAB9A 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.