SCHEMBL2458563

SCHEMBL2458563

C(=C/c1cnc[nH]1)\c1ncsn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.43
KDM4E B2RXH2 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 2/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
MELK Q14680 1/20 0.31
MAP3K11 Q16584 1/20 0.31
TLK2 Q86UE8 1/20 0.31
NEK7 Q8TDX7 1/20 0.31
NEK6 Q9HC98 1/20 0.31

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
SCHEMBL2458564 1.00 AOC1 (0.43) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2458794 0.72 AOC1 (0.43) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2458792 0.72 AOC1 (0.43) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2460060 0.69 AOC1 (0.43) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2458376 0.69 AOC1 (0.43) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2458600 0.67 AOC1 (0.44) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2458268 0.67 AOC1 (0.44) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2458597 0.67 AOC1 (0.44) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2458266 0.67 AOC1 (0.44) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2465545 0.66 AOC1 (0.43) AOC1KDM4EBLMNPSR1CYP3A4

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 AOC1 3885/4885KDM4E 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.