SCHEMBL3136152

SCHEMBL3136152

CC(C)(C)c1ccc2oc(-c3cc(Br)ccc3O)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
XBP1 P17861 1/20 0.50
HIF1A Q16665 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GFER P55789 1/20 0.49
ESR1 P03372 5/20 0.49
ESR2 Q92731 5/20 0.49
KDM6B O15054 1/20 0.49
KDM6A O15550 1/20 0.49
TP53 P04637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL4739590 0.88 ESR1 (0.54) MAPTNPC1RAB9AGFERESR1
SCHEMBL11735860 0.83 ESR1 (0.53) MAPTNPC1RAB9AGFERESR1
SCHEMBL3136773 0.83 KDM4E (0.54) MAPTXBP1HIF1ANPC1RAB9A
SCHEMBL22103728 0.80 NPC1 (0.66) MAPTNPC1RAB9AGFERESR1
SCHEMBL8927688 0.79 NPC1 (0.58) MAPTNPC1RAB9AGFERESR1
SCHEMBL1523547 0.78 KDM6B (0.78) MAPTXBP1HIF1ANPC1RAB9A
SCHEMBL26660201 0.78 KDM6B (0.56) MAPTNPC1RAB9AGFERESR1
SCHEMBL1027571 0.77 ESR1 (0.49) MAPTNPC1RAB9AGFERESR1
SCHEMBL3368896 0.77 ESR1 (0.69) MAPTNPC1RAB9AGFERESR1
SCHEMBL18065781 0.76 KDM6B (0.57) MAPTXBP1HIF1ANPC1RAB9A

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 MAPT 270/4885XBP1 208/4885HIF1A 1220/4885

“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.