SCHEMBL2462858

SCHEMBL2462858

c1cc2cc(-c3ncon3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
BRD4 O60885 1/20 0.49
NPC1 O15118 1/20 0.49
S1PR3 Q99500 1/20 0.48
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HCRTR1 O43613 1/20 0.45
PSMB8 P28062 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAP3K11 Q16584 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
APP P05067 1/20 0.42
FYN P06241 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
SCHEMBL2463860 0.87 BRD4 (0.49) S1PR1BRD4APPADORA2AADORA1
SCHEMBL31741405 0.76 CDK8 (0.55) BRD4APPFYN
SCHEMBL2463901 0.76 GSK3B (0.53) S1PR1GAA
SCHEMBL18828552 0.76 NPC1 (0.59) S1PR1BRD4NPC1S1PR3CASP3
SCHEMBL2457410 0.74 PSMD11 (0.42) S1PR1BRD4NPC1
SCHEMBL2462115 0.74 S1PR1 (0.49) S1PR1BRD4NPC1S1PR3CASP3
SCHEMBL5850255 0.74 NPC1 (0.79) BRD4NPC1PSMB8NISCHCYP17A1
SCHEMBL2455118 0.73 NPC1 (0.51) S1PR1BRD4NPC1PSMB8NISCH
SCHEMBL6423944 0.73 SMN1; SMN2 (0.51) S1PR1NPC1CYP17A1CYP11B1CYP11B2
SCHEMBL2461479 0.71 PSMD11 (0.55) S1PR1BRD4NPC1

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 S1PR1 610/4885BRD4 3654/4885NPC1 1244/4885

“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.