SCHEMBL3018977

SCHEMBL3018977

O=C(CCc1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH]nnc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
RAB9A P51151 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.42
NPC1 O15118 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3018973 1.00 LMNA (0.48) LMNARAB9AGAAALDH1A1KMT2A
SCHEMBL3007286 0.81 KDR (0.60) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL3020104 0.81 KDR (0.60) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL4865097 0.76 POLB (0.40) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL3010875 0.76 KMT2A (0.54) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL3010871 0.76 KMT2A (0.54) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL4751206 0.74 RAB9A (0.60) LMNARAB9AGAAALDH1A1KMT2A
SCHEMBL4751207 0.74 RAB9A (0.60) LMNARAB9AGAAALDH1A1KMT2A
SCHEMBL4866567 0.73 ALDH1A1 (0.46) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL29021933 0.73 NPC1 (0.40) GAAALDH1A1KMT2AMEN1MAPT

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 LMNA 2273/4885RAB9A 2132/4885GAA 12/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI LMNA 1764/4885RAB9A 2229/4885GAA 22/4885

“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.