SCHEMBL13098144

SCHEMBL13098144

O=C1Nc2cccc(Br)c2Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TP53 P04637 2/20 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
SCHEMBL8136244 0.88 MEN1 (0.54) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL19745771 0.80 ALOX5 (0.59) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL380110 0.78 ALOX5 (0.61) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL21764489 0.72 MAPK1 (0.44) ALDH1A1KDM4ETDP1MAOAMAOB
SCHEMBL18516202 0.72 MAPK1 (0.44) ALDH1A1KDM4ETDP1MAOAMAOB
SCHEMBL3409888 0.72 AHR (0.49) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL5357237 0.72 MAPT (0.45) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL8134709 0.72 MAPT (0.49) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL23499520 0.72 PDGFRA (0.36) MEN1KMT2AMAPTL3MBTL1POLB
Hydrochloric Acid SCHEMBL5362202 0.71 MAPT (0.44) MEN1KMT2AMAPTL3MBTL1POLB

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-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
WO-2009071631-A2 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-11 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-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS TRPA1, TRPV1, TRPV2 MEN1 4772/4885KMT2A 4016/4885MAPT 1080/4885

“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.