SCHEMBL31019583

SCHEMBL31019583

N#CCc1cccc(CN)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.53
MMP3 P08254 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PNMT P11086 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PRMT6 Q96LA8 1/20 0.44
NOS1 P29475 3/20 0.43
NOS2 P35228 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NOS3 P29474 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NCF1 P14598 1/20 0.41

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
SCHEMBL24087989 1.00 ENPP2 (0.53) ENPP2MMP3MEN1KMT2APNMT
SCHEMBL237972 0.89 ENPP2 (0.63) ENPP2MMP3MEN1KMT2AKDM4E
SCHEMBL27287539 0.87 LOXL2 (0.42) ENPP2MMP3MEN1KMT2APNMT
SCHEMBL27799427 0.86 ENPP2 (0.42) ENPP2MMP3MEN1KMT2APNMT
Benzene SCHEMBL5438521 0.86 ENPP2 (0.61) ENPP2MMP3MEN1KMT2ALOXL2
Benzylamine SCHEMBL8937826 0.84 LOXL2 (0.64) ENPP2MMP3MEN1KMT2APNMT
Water SCHEMBL28545356 0.83 LOXL2 (0.67) ENPP2PNMTLOXL2PRMT6NOS1
Thiocyanic Acid SCHEMBL28456795 0.82 LOXL2 (0.52) ENPP2MEN1KMT2APNMTLOXL2
SCHEMBL3810558 0.81 LOXL2 (0.58) ENPP2MMP3KMT2ALOXL2KDM4E
SCHEMBL36008 0.81 LOXL2 (0.71) ENPP2PNMTLOXL2PRMT6NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254107-A1 RNA-TARGETING LIGANDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2024-08-01 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 (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-20240254107-A1 RNA-TARGETING LIGANDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME TARBP1, RNGTT, NSUN3 ENPP2 2643/4885MMP3 3506/4885MEN1 2260/4885

“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.