SCHEMBL2462944

SCHEMBL2462944

C(=Cc1c[nH]c2ccccc12)c1ncsn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.51
NR0B1 P51843 1/20 0.48
CYP2A6 P11509 1/20 0.46
IMPDH2 P12268 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
USP2 O75604 3/20 0.46
LMNA P02545 3/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPC1 O15118 4/20 0.46
HPGD P15428 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APOBEC3A P31941 1/20 0.43

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
SCHEMBL2462943 1.00 NQO2 (0.51) NQO2NR0B1CYP2A6IMPDH2MEN1
SCHEMBL10489040 0.79 CYP2A6 (0.69) NQO2NR0B1CYP2A6IMPDH2MEN1
SCHEMBL2463895 0.77 NQO2 (0.48) NQO2NR0B1CYP2A6IMPDH2MEN1
SCHEMBL2463892 0.77 NQO2 (0.48) NQO2NR0B1CYP2A6IMPDH2MEN1
SCHEMBL2457103 0.75 CHEK1 (0.40) NQO2ALDH1A1HPGDKDM4E
SCHEMBL2457100 0.75 CHEK1 (0.40) NQO2ALDH1A1HPGDKDM4E
SCHEMBL2457828 0.73 NQO2 (0.51) NQO2NR0B1CYP2A6IMPDH2MEN1
SCHEMBL2457827 0.73 NQO2 (0.51) NQO2NR0B1CYP2A6IMPDH2MEN1
SCHEMBL30869156 0.72 MEN1 (0.71) NQO2NR0B1CYP2A6IMPDH2MEN1
SCHEMBL18128880 0.72 NQO2 (0.60) NQO2NR0B1CYP2A6IMPDH2MEN1

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 NQO2 3444/4885NR0B1 571/4885CYP2A6 3852/4885

“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.