SCHEMBL2461448

SCHEMBL2461448

c1cc(-c2ccc3snnc3c2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.51
POLB P06746 1/20 0.43
PTPN11 Q06124 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
JAK2 O60674 1/20 0.42
SCN4A P35499 3/20 0.42
PDPK1 O15530 1/20 0.42
IDO1 P14902 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGDS O60760 1/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
RIPK2 O43353 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL3064923 0.78 THRB (0.49) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2462260 0.74 RIPK2 (0.61) NOTUMPOLBPTPN11NPC1RAB9A
SCHEMBL2462267 0.71 NPC1 (0.49) NOTUMPOLBPTPN11NPC1RAB9A
SCHEMBL2462304 0.71 ACVR1 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL2458388 0.70 NISCH (0.45) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL17279817 0.70 POLB (0.77) NOTUMPOLBPTPN11NPC1RAB9A
SCHEMBL15327070 0.68 NOTUM (1.00) NOTUMPOLBPTPN11NPC1RAB9A
SCHEMBL30225010 0.68 NOTUM (0.71) NOTUMPOLBPTPN11NPC1RAB9A
SCHEMBL2460153 0.68 RIPK2 (0.55) NOTUMPOLBPTPN11NPC1RAB9A
SCHEMBL2457426 0.68 NPC1 (0.49) NOTUMPOLBPTPN11NPC1RAB9A

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 NOTUM 3486/4885POLB 3606/4885PTPN11 1236/4885

“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.