SCHEMBL3020104

SCHEMBL3020104

O=C(Nc1cccc2[nH]nnc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.60
NPC1 O15118 3/20 0.55
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
CASP6 P55212 1/20 0.54
PTPN11 Q06124 1/20 0.54
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
POLB P06746 2/20 0.52
PARP1 P09874 1/20 0.52
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.50
RXFP1 Q9HBX9 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 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
SCHEMBL3007286 1.00 KDR (0.60) KDRNPC1DUSP3PTPN5CASP6
SCHEMBL3936366 0.83 KDR (0.54) KDRNPC1ALDH1A1MEN1KMT2A
SCHEMBL27699226 0.82 KDR (0.52) KDRNPC1ALDH1A1MEN1KMT2A
SCHEMBL3010875 0.81 KMT2A (0.54) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL3010871 0.81 KMT2A (0.54) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL3018973 0.81 LMNA (0.48) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL3018977 0.81 LMNA (0.48) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL4754402 0.80 CYP1A2 (0.54) NPC1ALDH1A1MEN1KMT2APOLB
SCHEMBL29791629 0.75 MEN1 (0.41) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL28439885 0.75 KDR (1.00) KDRNPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9162991-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITY OF OTTAWA (CA) 2015-10-20 US disclosed
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2014-01-23 US disclosed
US-8614233-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITE DE MONTREAL (CA) 2013-12-24 US disclosed
US-20100204280-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2010-08-12 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 (2 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-20100204280-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TGM1 KDR 4125/4885NPC1 2429/4885DUSP3 4231/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI KDR 3966/4885NPC1 2631/4885DUSP3 4344/4885

“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.