SCHEMBL2279519

SCHEMBL2279519

N#C/C=C/c1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.56
ALDH1A1 P00352 2/20 0.45
UNG P13051 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP2A6 P11509 1/20 0.39
FDPS P14324 1/20 0.39
FBP1 P09467 2/20 0.38
SRC P12931 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
BRD4 O60885 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL2279521 1.00 ENPP2 (0.56) ENPP2ALDH1A1UNGKDM4ECYP2A6
SCHEMBL24157696 0.80 ENPP2 (0.56) ENPP2ALDH1A1KDM4EFDPSFBP1
SCHEMBL24158105 0.80 ENPP2 (0.56) ENPP2ALDH1A1KDM4EFDPSFBP1
SCHEMBL6606539 0.79 KDM4E (0.55) ENPP2ALDH1A1KDM4ECYP2A6FDPS
SCHEMBL6606536 0.79 KDM4E (0.55) ENPP2ALDH1A1KDM4ECYP2A6FDPS
SCHEMBL13503132 0.78 ENPP2 (0.50) ENPP2ALDH1A1KDM4EFDPSFBP1
Isophthalic Dicarboxaldehyde SCHEMBL4952540 0.78 ALDH1A1 (0.67) ALDH1A1UNGKDM4ECYP2A6FBP1
Isophthalic Dicarboxaldehyde SCHEMBL180566 0.78 ALDH1A1 (0.67) ALDH1A1UNGKDM4ECYP2A6FBP1
SCHEMBL18002842 0.77 FBP1 (0.58) FBP1MAOAMAOB
SCHEMBL11174940 0.76 ENPP2 (0.56) ENPP2ALDH1A1KDM4EFDPSMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059668-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2018-08-28 US disclosed
US-20170129857-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. (US) 2017-05-11 US disclosed
US-20170129857-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. (US) 2017-05-11 US disclosed
WO-2017079476-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2017-05-11 WO disclosed
WO-2017079476-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2017-05-11 WO disclosed
US-20170129857-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. (US) 2017-05-11 US disclosed
US-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-7691883-B2 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-06 US disclosed
US-7691883-B2 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-06 US disclosed
US-20070265228-A1 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-15 US disclosed
US-20070265228-A1 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-15 US disclosed
US-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-21 US disclosed
EP-1671961-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 EP disclosed
EP-1671948-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 EP 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 (4 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-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis COL2A1, COL1A1, COL14A1 ENPP2 1315/4885ALDH1A1 576/4885UNG 3128/4885
US-20170129857-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A ENPP2 1115/4885ALDH1A1 364/4885UNG 564/4885
US-10059668-B2 LSD1 inhibitors KDM1B, KDM1A, KDM3A ENPP2 1115/4885ALDH1A1 364/4885UNG 564/4885
US-20070265228-A1 Cinnamoyl compound and use of the same NPC1, CES2, CYP51A1 ENPP2 2494/4885ALDH1A1 83/4885UNG 4052/4885

“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.