SCHEMBL21540190

SCHEMBL21540190

Cc1ccc(O)c(Br)c1N=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
HSP90AA1 P07900 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33

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
SCHEMBL9437376 0.80 TRPA1 (0.39) ALDH1A1KDM4EGAAKMT2AATM
SCHEMBL14001041 0.75 KMT2A (0.38) ALDH1A1KDM4EKMT2AATMMAPT
SCHEMBL3282798 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AATMMAPT
SCHEMBL4930118 0.74 TP53 (0.40) ALDH1A1KDM4EGAAKMT2AATM
SCHEMBL12662627 0.72 MET (0.33) ALDH1A1KDM4EGAAKMT2AATM
SCHEMBL30972746 0.72 TRPA1 (0.44) ALDH1A1KDM4EGAAKMT2AATM
SCHEMBL2168487 0.72 TRPA1 (0.44) ALDH1A1KDM4EGAAKMT2AATM
SCHEMBL4755413 0.71 ATM (0.50) ALDH1A1KDM4EKMT2AATMMAPT
SCHEMBL31331585 0.68 TP53 (0.36) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL16334112 0.68 TP53 (0.36) ALDH1A1KDM4EGAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 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-11078216-B2 Bisaryl amides as NRF2 activators NFE2L2, KEAP1, NQO1 ALDH1A1 584/4885KDM4E 2598/4885GAA 1934/4885
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 ALDH1A1 584/4885KDM4E 2598/4885GAA 1934/4885

“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.