SCHEMBL1008027

SCHEMBL1008027

C=CCn1c(=O)[nH]c(=O)n(CC(=C)C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL18333371 0.89 APEX1 (0.44) CYP3A4GAAKMT2AKDM4EALDH1A1
SCHEMBL11080013 0.87 APEX1 (0.42) CYP3A4GAAKMT2AKDM4EALDH1A1
SCHEMBL12580005 0.85 CYP3A4 (0.64) CYP3A4GAAKMT2ASMN1; SMN2MAPT
SCHEMBL12580004 0.85 CYP3A4 (0.64) CYP3A4GAAKMT2ASMN1; SMN2MAPT
SCHEMBL157928 0.83 CYP3A4 (0.71) CYP3A4GAANPC1KMT2ASMN1; SMN2
SCHEMBL11077876 0.81 CYP3A4 (0.68) CYP3A4GAANPC1KMT2ASMN1; SMN2
SCHEMBL19722545 0.79 CYP3A4 (0.55) CYP3A4GAAKMT2ASMN1; SMN2MAPT
SCHEMBL13661089 0.78 CYP3A4 (0.58) CYP3A4GAANPC1KMT2ASMN1; SMN2
SCHEMBL24404192 0.78 B3GNT2 (0.38) GAAKMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL1560781 0.75 CYP3A4 (0.54) CYP3A4KMT2ASMN1; SMN2MAPTKDM4E

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
EP-2277945-B1 CROSS-LINKABLE POLYMER COMPOSITION, AND MOLDED PRODUCT OF THE COMPOSITION NIPPON KASEI CHEM (JP) 2014-08-27 EP disclosed
US-8445600-B2 Crosslinking agent, and crosslinking polymer composition and molded product formed of the same NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
JP-2011236189-A METHOD FOR SYNTHESIZING DISUBSTITUTED ISOCYANURIC ACID COMPOUND MORI TAKASHI 2011-11-24 JP disclosed
US-20110105687-A1 CROSSLINKING AGENT, AND CROSSLINKING POLYMER COMPOSITION AND MOLDED PRODUCT FORMED OF THE SAME SHINRYO CORPORATION (JP) 2011-05-05 US disclosed
EP-2277945-A1 CROSS-LINKING AGENT, CROSS-LINKABLE POLYMER COMPOSITION, AND MOLDED PRODUCT OF THE COMPOSITION Nippon Kasei Chemical Company Limited (JP) 2011-01-26 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 (1 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-20110105687-A1 CROSSLINKING AGENT, AND CROSSLINKING POLYMER COMPOSITION AND MOLDED PRODUCT FORMED OF THE SAME TST, H1-0, H1-3 CYP3A4 753/4885GAA 3392/4885NPC1 4486/4885

“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.