SCHEMBL2461291

SCHEMBL2461291

C(=C/c1nc2ccccc2[nH]1)\c1ncon1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
KDM4E B2RXH2 7/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
HPGD P15428 5/20 0.56
PKM P14618 4/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
GAA P10253 3/20 0.51
HTT P42858 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
GLA P06280 2/20 0.51
TP53 P04637 2/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL2461292 1.00 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL29539476 0.80 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL1086983 0.80 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL1086985 0.80 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL2462790 0.77 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL2462789 0.77 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL2459506 0.75 NPC1 (0.58) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL2459504 0.75 NPC1 (0.58) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL2457806 0.75 CYP2A6 (0.47) NPC1RAB9AMAPTNPSR1AOC3
SCHEMBL2457809 0.75 CYP2A6 (0.47) NPC1RAB9AMAPTNPSR1AOC3

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 1 patent. 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

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 ALDH1A1 720/4885NPC1 1244/4885RAB9A 3044/4885

“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.