SCHEMBL16574229

SCHEMBL16574229

COc1ccc(NC(C)c2ccc(Br)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
GAA P10253 5/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL15003942 0.91 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL6687727 0.91 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL15326794 0.84 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL16574226 0.83 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL28440821 0.83 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL11221573 0.82 ALDH1A1 (0.86) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL15004002 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL15137443 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL3172125 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL16574227 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAAMAPT

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
EP-2836497-B1 CATALYST COMPOUNDS UNIV LIVERPOOL (GB) 2016-03-23 EP disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 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 (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-20150080592-A1 CATALYST COMPOUNDS IDH3B, IDH2, NQO1 ALDH1A1 261/4885MAOA 389/4885MAOB 118/4885

“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.