SCHEMBL13865474

SCHEMBL13865474

COc1cc(O)c(Br)c2nc(-c3ccccc3)oc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.70
ESR2 Q92731 7/20 0.70
RAB9A P51151 6/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MAOB P27338 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.40
PLK1 P53350 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL1376329 0.90 ESR2 (0.74) ESR1ESR2RAB9ANPC1MAPT
SCHEMBL13865473 0.77 ESR1 (0.67) ESR1ESR2RAB9ANPC1SMN1; SMN2
SCHEMBL29307843 0.76 NPC1 (0.47) ESR1ESR2RAB9ANPC1SMN1; SMN2
SCHEMBL22439182 0.75 NQO2 (0.49) ESR1ESR2RAB9ANPC1SMN1; SMN2
SCHEMBL13865472 0.74 ESR2 (0.82) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL28623039 0.73 NPC1 (0.43) ESR1ESR2RAB9ANPC1SMN1; SMN2
SCHEMBL29460441 0.73 NPC1 (0.43) ESR1ESR2RAB9ANPC1SMN1; SMN2
SCHEMBL29138346 0.71 ALDH1A1 (0.48) ESR1ESR2RAB9ANPC1SMN1; SMN2
SCHEMBL2137383 0.70 DHODH (0.54) ESR1ESR2RAB9ANPC1SMN1; SMN2
SCHEMBL22439105 0.67 TOP2A (0.53) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531564-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2009-05-12 US disclosed
US-7531564-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2009-05-12 US disclosed
US-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2008-10-16 US disclosed
US-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2008-10-16 US disclosed
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2007-07-19 US 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-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS ESR1, CYP19A1, ESR2 ESR1 1/4885ESR2 3/4885RAB9A 2914/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885RAB9A 3309/4885

“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.