SCHEMBL2464022

SCHEMBL2464022

C(=Cc1cc2ccccc2[nH]1)c1ccon1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
MAPT P10636 1/20 0.47
IDO1 P14902 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
AMY1A P0DUB6 1/20 0.41
ATP6V1B1 P15313 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL2464020 1.00 CYP2A6 (0.47) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL2458423 0.80 CYP2A6 (0.69) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL2458425 0.80 CYP2A6 (0.69) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL2459216 0.78 CYP2A6 (0.46) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL2459220 0.78 CYP2A6 (0.46) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL710066 0.78 NPC1 (0.55) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL710067 0.78 NPC1 (0.55) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL2776711 0.78 NPC1 (0.55) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL2457806 0.76 CYP2A6 (0.47) CYP2A6BCHEACHEMAPTIDO1
SCHEMBL2457809 0.76 CYP2A6 (0.47) CYP2A6BCHEACHEMAPTIDO1

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 CYP2A6 3852/4885BCHE 3320/4885ACHE 4768/4885

“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.