SCHEMBL3013357

SCHEMBL3013357

NCCCCCNC(=S)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
LMNA P02545 5/20 0.60
GAA P10253 4/20 0.60
RAB9A P51151 2/20 0.58
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 7/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 4/20 0.56
HRH2 P25021 1/20 0.56
ALOX12 P18054 1/20 0.54
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL15224205 0.93 KMT2A (0.68) KMT2ALMNAGAARAB9AMAOA
SCHEMBL4397993 0.86 KMT2A (0.68) KMT2ALMNAGAARAB9AMAOA
Hydrochloric Acid SCHEMBL322544 0.84 KMT2A (0.66) KMT2ALMNAGAARAB9AMAOA
SCHEMBL10667599 0.83 KMT2A (0.75) KMT2ALMNAGAARAB9AMAOA
SCHEMBL5445779 0.83 KMT2A (0.75) KMT2ALMNAGAARAB9AMAOA
SCHEMBL11068116 0.83 KMT2A (0.75) KMT2ALMNAGAARAB9AMAOA
SCHEMBL28223385 0.83 KMT2A (0.75) KMT2ALMNAGAARAB9AMAOA
SCHEMBL5445981 0.83 KMT2A (0.75) KMT2ALMNAGAARAB9AMAOA
SCHEMBL5447975 0.83 KMT2A (0.75) KMT2ALMNAGAARAB9AMAOA
SCHEMBL5446742 0.83 KMT2A (0.75) KMT2ALMNAGAARAB9AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009038289-A2 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING FIBROSIS SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-03-26 WO claimed
WO-2009038288-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING CATARACT SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-03-26 WO claimed
EP-0505487-A1 GROWTH ARREST OF PROLIFERATING CELLS BY TRANSGLUTAMINASE INHIBITORS THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-09-30 EP claimed
WO-1991008739-A1 GROWTH ARREST OF PROLIFERATING CELLS BY TRANSGLUTAMINASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-06-27 WO claimed
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-2009038289-A2 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING FIBROSIS SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-03-26 WO disclosed
WO-2009038288-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING CATARACT SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-03-26 WO disclosed
WO-2008144933-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE Université de Montréal (CA) 2008-12-04 WO disclosed
EP-0505487-A1 GROWTH ARREST OF PROLIFERATING CELLS BY TRANSGLUTAMINASE INHIBITORS THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-09-30 EP disclosed
EP-0505487-A1 GROWTH ARREST OF PROLIFERATING CELLS BY TRANSGLUTAMINASE INHIBITORS THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-09-30 EP disclosed
WO-1991008739-A1 GROWTH ARREST OF PROLIFERATING CELLS BY TRANSGLUTAMINASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-06-27 WO disclosed
WO-1991008739-A1 GROWTH ARREST OF PROLIFERATING CELLS BY TRANSGLUTAMINASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-06-27 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 KMT2A 2216/4885LMNA 2273/4885GAA 12/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI KMT2A 2340/4885LMNA 1764/4885GAA 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.