SCHEMBL12753306

SCHEMBL12753306

O=C(Nc1ccccn1)c1cccn2cc(-c3ccc(F)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.54
▸ TP53 P04637 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALDH1A3 P47895 1/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TMIGD3 P0DMS9 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ MEN1 O00255 3/20 0.46

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
SCHEMBL12753462 0.89 DHODH (0.51) DHODHTP53MAPTALDH1A3NPC1
SCHEMBL12753285 0.89 DHODH (0.51) DHODHTP53MAPTNPC1RAB9A
SCHEMBL12753301 0.89 CHRNB2 (0.49) DHODHTP53MAPTNPC1RAB9A
SCHEMBL12753293 0.85 CHRNB2 (0.52) DHODHTP53MAPTNPC1RAB9A
SCHEMBL12753340 0.85 DHODH (0.49) DHODHTP53MAPTNPC1RAB9A
SCHEMBL12753397 0.83 DHODH (0.47) DHODHTP53MAPTNPC1RAB9A
SCHEMBL12753625 0.83 ADORA3 (0.47) DHODHTP53MAPTNPC1RAB9A
SCHEMBL12753484 0.82 CHRNB2 (0.47) DHODHTP53MAPTNPC1RAB9A
SCHEMBL13579055 0.82 EPHB4 (0.47) DHODHTP53CHRNB2CHRNB4CHRNA3
SCHEMBL12753303 0.81 DHODH (0.49) DHODHTP53MAPTALDH1A3NPC1

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 3 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
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 DHODH 1141/4885TP53 632/4885MAPT 1015/4885

“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.

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