SCHEMBL2459345

SCHEMBL2459345

C(=Cc1cnc[nH]1)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

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
ALOX5 P09917 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33

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
SCHEMBL2459342 1.00 AOC1 (0.43) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2461808 0.74 CYP3A4 (0.52) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2461809 0.74 CYP3A4 (0.52) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL4210041 0.74 ALOX5 (0.59) KDM4ENPSR1ALOX5POLBMAPT
SCHEMBL4210038 0.74 ALOX5 (0.59) KDM4ENPSR1ALOX5POLBMAPT
SCHEMBL2458266 0.74 AOC1 (0.44) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2458268 0.74 AOC1 (0.44) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL8015932 0.71 AOC1 (0.46) AOC1KDM4EBLMNPSR1CYP3A4
SCHEMBL2461104 0.71 ALOX5 (0.42) ALOX5POLBMAPTTAS1R3TAS1R1
SCHEMBL8015928 0.71 AOC1 (0.46) 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.