SCHEMBL25752592

SCHEMBL25752592

Cc1cnccc1/N=C\I

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
MPI P34949 1/20 0.32
CYP2A6 P11509 1/20 0.30

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
SCHEMBL25752582 0.84 MPI (0.41) TRPA1SIRT3TDP1CCNCCDK8
SCHEMBL23127915 0.82 TRPA1 (0.50) TRPA1SIRT3TDP1MPICYP2A6
SCHEMBL20613222 0.77 TRPA1 (0.46) TRPA1SIRT3TDP1MPI
SCHEMBL22787372 0.77 TRPA1 (0.46) TRPA1SIRT3TDP1MPI
SCHEMBL16187302 0.76 ALDH1A1 (0.41) TDP1
SCHEMBL28182992 0.74 TRPA1 (0.56) TRPA1
SCHEMBL6270080 0.72
SCHEMBL25752567 0.70 CYP2C9 (0.55) TDP1MPI
SCHEMBL19049163 0.69 TRPA1 (0.50) TRPA1SIRT3TDP1CCNCCDK8
SCHEMBL7116943 0.68 TRPA1 (0.49) TRPA1SIRT3TDP1CCNCCDK8

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 TRPA1 613/4885SIRT3 940/4885TDP1 2631/4885

“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.