SCHEMBL1419901

SCHEMBL1419901

O=[N+]([O-])c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HTT P42858 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
APEX1 P27695 1/20 0.60
MAPK1 P28482 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HRH3 Q9Y5N1 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
EIF4E P06730 1/20 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
SCHEMBL1420384 0.83 NPC1 (0.65) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL1419883 0.79 NPC1 (0.53) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL7502403 0.79 RAB9A (0.63) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL24246816 0.79 TLR8 (0.48) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1419736 0.79 DHODH (0.64) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL5738629 0.78 NPC1 (0.76) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL21237251 0.77 NPC1 (0.46) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL1419740 0.77 DHODH (0.52) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL5313388 0.75 NPC1 (1.00) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL5248641 0.74 NPC1 (0.43) MAPTNPC1RAB9ASMN1; SMN2NFKB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
EP-2297144-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 MAPT 1015/4885NPC1 4009/4885RAB9A 825/4885

“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.