SCHEMBL25752571

SCHEMBL25752571

Cc1cccnc1/N=C\I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.52
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 5/20 0.35
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 4/20 0.35
CYP2A6 P11509 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CTH P32929 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL12189846 0.82 PLAU (0.53) PLAUNOS3NOS1NOS2NPC1
SCHEMBL12630929 0.77 PLAU (0.49) PLAUNOS3NOS1NOS2NPC1
SCHEMBL23340126 0.77 PLAU (0.49) PLAUNOS3NOS1NOS2NPC1
SCHEMBL18676076 0.77 PLAU (0.49) PLAUNOS3NOS1NOS2NPC1
SCHEMBL1851255 0.76 PLAU (0.61) PLAUNOS3NOS1NOS2NPC1
SCHEMBL14963882 0.76 RRM1 (0.36) PLAUNOS3NOS1NOS2KDM4E
SCHEMBL292776 0.74
SCHEMBL16592374 0.73 KDM4E (0.35) PLAUKDM4EMAPTKMT2AMEN1
SCHEMBL12605752 0.73 PLAU (0.45) PLAUNOS3NOS1NOS2NPC1
SCHEMBL10848095 0.73 PLAU (0.45) PLAUNOS3NOS1NOS2NPC1

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-20230197361-A1 CONDUCTIVE TWO-DIMENSIONAL (2D) COVALENT ORGANIC FRAMEWORKS (COFS) AND METHOD OF MAKING AN ELECTRODE MATERIAL UNIV KING ABDULLAH SCI & TECH (SA) 2023-06-22 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-20230197361-A1 CONDUCTIVE TWO-DIMENSIONAL (2D) COVALENT ORGANIC FRAMEWORKS (COFS) AND METHOD OF MAKING AN ELECTRODE MATERIAL TET3, TET1, ALKBH2 PLAU 4712/4885NOS3 2413/4885NOS1 2321/4885

“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.