SCHEMBL15031986

SCHEMBL15031986

Cc1ccccc1C1OC(=O)c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.42
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
AR P10275 1/20 0.39
PTPRC P08575 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
PBRM1 Q86U86 3/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL15031925 0.87 MAPK1 (0.39) CYP1A2MAPK1ALDH1A1EDNRBEDNRA
SCHEMBL11545008 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APBRM1POLB
SCHEMBL15010031 0.81 ALDH1A1 (0.44) CYP1A2MAPK1ALDH1A1MAPTMEN1
Dimethylamine SCHEMBL11269567 0.78 ALDH1A1 (0.56) MAPK1ALDH1A1PBRM1GAATNKS2
SCHEMBL29123169 0.74 TP53 (0.50) CYP1A2MAPK1MAPTMEN1KMT2A
SCHEMBL6669536 0.74 PBRM1 (0.46) CYP1A2MAPK1EDNRBEDNRAAR
SCHEMBL28345186 0.72 ALDH1A1 (0.67) CYP1A2MAPK1ALDH1A1EDNRBEDNRA
SCHEMBL17075818 0.72 CYP1A2 (0.47) CYP1A2MAPK1EDNRBEDNRAAR
SCHEMBL29440612 0.72 CYP1A2 (0.47) CYP1A2MAPK1EDNRBEDNRAAR
SCHEMBL29440609 0.72 CYP1A2 (0.47) CYP1A2MAPK1EDNRBEDNRAAR

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-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 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-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B CYP1A2 399/4885MAPK1 697/4885ALDH1A1 795/4885

“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.