SCHEMBL13694244

SCHEMBL13694244

O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSUN3 Q9H649 1/20 0.78
STAT3 P40763 8/20 0.67
NPC1 O15118 10/20 0.65
RAB9A P51151 10/20 0.65
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
POLB P06746 1/20 0.65
PKM P14618 5/20 0.63
MAPT P10636 4/20 0.62
HTT P42858 3/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPSR1 Q6W5P4 2/20 0.60
THRB P10828 1/20 0.60
MAPK9 P45984 1/20 0.60
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
ABCB11 O95342 1/20 0.59
TP53 P04637 1/20 0.59

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
SCHEMBL29074204 0.88 NSUN3 (1.00) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL23105689 0.84 NPC1 (0.72) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL1804666 0.83 NPC1 (0.76) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL11154084 0.82 STAT3 (0.75) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL11154311 0.81 STAT3 (0.79) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL29056922 0.80 STAT3 (0.77) STAT3NPC1RAB9AMEN1KMT2A
Tizoxanide SCHEMBL375440 0.80 STAT3 (1.00) NSUN3STAT3NPC1RAB9AMEN1
Tizoxanide SCHEMBL29367981 0.80 STAT3 (1.00) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL872677 0.80 STAT3 (0.68) NSUN3STAT3NPC1RAB9AMEN1
SCHEMBL13694243 0.80 MEN1 (0.62) NSUN3STAT3NPC1RAB9AMEN1

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-20090221647-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2009-09-03 US disclosed
US-20090221647-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2009-09-03 US disclosed
WO-2007125110-A1 N- ( 2-THIAZOLYL) -AMIDE DERIVATIVES AS GSK-3 INHIBITORS NOSCIRA, S.A. (ES) 2007-11-08 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-20090221647-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP NSUN3 2541/4885STAT3 1459/4885NPC1 829/4885

“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.