SCHEMBL3011508

SCHEMBL3011508

O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1c[nH]nn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
BCHE P06276 1/20 0.58
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TGM2 P21980 1/20 0.54
MAOA P21397 4/20 0.52
CYP1B1 Q16678 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSPD1 P10809 1/20 0.50
HSPE1 P61604 1/20 0.50
POLB P06746 1/20 0.50
KRAS P01116 1/20 0.49

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
SCHEMBL3011502 1.00 MAOB (0.58) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL3012126 0.80 CYP1B1 (0.56) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL3012123 0.80 CYP1B1 (0.56) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL6733848 0.75 MAOB (0.85) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL6733854 0.75 MAOB (0.85) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL29903249 0.74 RAB9A (0.62) MAOBMAPTALDH1A1LMNAMEN1
SCHEMBL29870504 0.74 MAPT (0.68) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL6791116 0.74 MAPT (0.68) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL6791109 0.74 MAPT (0.68) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL11803175 0.74 MAOB (1.00) MAOBBCHEMAPTALDH1A1LMNA

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 5 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
WO-2008144933-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE Université de Montréal (CA) 2008-12-04 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 (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 MAOB 1977/4885BCHE 1144/4885MAPT 1920/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI MAOB 2187/4885BCHE 1509/4885MAPT 2474/4885

“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.