SCHEMBL2461808

SCHEMBL2461808

C(=C/c1cnc[nH]1)\c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
BLM P54132 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.52
AOC1 P19801 2/20 0.48
CYP11B1 P15538 5/20 0.48
CYP11B2 P19099 5/20 0.48
HRH3 Q9Y5N1 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 1/20 0.44
GRM4 Q14833 2/20 0.43
CYP19A1 P11511 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DAO P14920 1/20 0.41
MAPT P10636 1/20 0.41
CDK5 Q00535 1/20 0.41
PTK2B Q14289 1/20 0.41

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
SCHEMBL2461809 1.00 CYP3A4 (0.52) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL8015928 0.81 AOC1 (0.46) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL8015932 0.81 AOC1 (0.46) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL2455193 0.76 AOC1 (0.48) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL2455189 0.76 AOC1 (0.48) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL2460639 0.76 AOC1 (0.44) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL2460642 0.76 AOC1 (0.44) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL2461580 0.74 AOC1 (0.43) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL2459342 0.74 AOC1 (0.43) CYP3A4KDM4EBLMNPSR1TSHR
SCHEMBL2459345 0.74 AOC1 (0.43) CYP3A4KDM4EBLMNPSR1TSHR

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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET CYP3A4 4190/4885KDM4E 4565/4885BLM 3519/4885

“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.