SCHEMBL2086826

SCHEMBL2086826

O=C(c1ccccc1)c1cn2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
STAT3 P40763 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
APP P05067 1/20 0.47
MAPK1 P28482 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 4/20 0.44

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
SCHEMBL2485814 0.84 ALDH1A1 (0.54) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2488317 0.81 NPC1 (0.62) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL18883276 0.80 ALDH1A1 (0.56) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2087968 0.79 PTGS1 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL2085892 0.79 RAB9A (0.50) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
Bromide SCHEMBL2087132 0.77 PTGS1 (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL1728496 0.77 PTGS1 (0.50) RAB9ASMN1; SMN2NPC1APPKMT2A
SCHEMBL2086460 0.77 PTGS1 (0.50) CYP2C9PTGS1PTGS2
SCHEMBL2086415 0.77 RXFP1 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1APP
SCHEMBL2087802 0.77 PTGS1 (0.46) RAB9ANPC1KMT2ACYP1A2MAPT

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-7902219-B2 2-benzoylimidazopyridine derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-03-08 US disclosed
US-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-04 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-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF NR4A2, NR4A3, NCOR1 POLB 3459/4885RAB9A 3310/4885SMN1; SMN2 2488/4885

“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.