SCHEMBL3558026

SCHEMBL3558026

O=C(O)/C=C/c1c[nH]c2cccc(Br)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.64
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
NFKB1 P19838 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDO2 P48775 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
BACE1 P56817 1/20 0.43
EIF2AK2 P19525 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL31448012 1.00 CYP2A6 (0.64) CYP2A6MEN1ALDH1A1MAPTHPGD
SCHEMBL3558032 1.00 CYP2A6 (0.64) CYP2A6MEN1ALDH1A1MAPTHPGD
SCHEMBL31447990 0.81 TDO2 (0.52) CYP2A6MEN1ALDH1A1MAPTHPGD
SCHEMBL16713913 0.81 TDO2 (0.52) CYP2A6MEN1ALDH1A1MAPTHPGD
SCHEMBL31448009 0.81 GPR84 (0.46) CYP2A6MEN1ALDH1A1MAPTHPGD
SCHEMBL16713915 0.81 TDO2 (0.52) CYP2A6MEN1ALDH1A1MAPTHPGD
SCHEMBL31447964 0.81 NR4A2 (0.49) CYP2A6MEN1ALDH1A1MAPTHPGD
SCHEMBL31447919 0.80 CYP2A6 (0.51) CYP2A6MEN1ALDH1A1MAPTHPGD
SCHEMBL644301 0.78 CYP2A6 (1.00) CYP2A6PIM1PIM3PIM2
SCHEMBL29953853 0.78 CYP2A6 (1.00) CYP2A6PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 CYP2A6 885/4885MEN1 4327/4885ALDH1A1 1805/4885

“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.