SCHEMBL13098121

SCHEMBL13098121

CC(=O)OCc1cccc(Br)c1NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP12 P39900 1/20 0.38

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
SCHEMBL28134373 0.79 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1HPGDKMT2A
SCHEMBL13098122 0.77 HPGD (0.45) ALDH1A1MAPTL3MBTL1HPGDKMT2A
SCHEMBL777869 0.76 MAPT (0.57) ALDH1A1MAPTL3MBTL1KMT2APOLB
SCHEMBL31554190 0.76 MAPT (0.57) ALDH1A1MAPTL3MBTL1KMT2APOLB
SCHEMBL607429 0.74 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1KMT2APOLB
SCHEMBL28097007 0.72 ALDH1A1 (0.46) ALDH1A1MAPTKMT2APOLBPKM
SCHEMBL16752332 0.72 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KMT2APOLB
SCHEMBL28840713 0.72 MAPT (0.47) ALDH1A1MAPTL3MBTL1KMT2APOLB
SCHEMBL5936403 0.71 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1KMT2APOLB
SCHEMBL13098120 0.71 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1KMT2APOLB

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 ALDH1A1 655/4885MAPT 1080/4885L3MBTL1 3619/4885

“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.

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