SCHEMBL25752586

SCHEMBL25752586

Cc1cnccc1/C=C\I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCNC P24863 4/20 0.36
CDK8 P49336 4/20 0.36
TRPA1 O75762 1/20 0.34
ALOX5 P09917 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2A6 P11509 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 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
SCHEMBL25752574 0.83 SIRT3 (0.41) SIRT3TDP1CCNCCDK8TRPA1
SCHEMBL14822507 0.81 TRPA1 (0.35) SIRT3TDP1CCNCCDK8TRPA1
SCHEMBL21881933 0.81 TRPA1 (0.35) SIRT3TDP1CCNCCDK8TRPA1
SCHEMBL9000344 0.78 TRPA1 (0.33) SIRT3TDP1CCNCCDK8TRPA1
SCHEMBL9756927 0.77 CCNC (0.50) SIRT3TDP1CCNCCDK8TSHR
SCHEMBL9756928 0.77 CCNC (0.50) SIRT3TDP1CCNCCDK8TSHR
SCHEMBL21707400 0.76 CYP2A6 (0.33) SIRT3TDP1CCNCCDK8TRPA1
SCHEMBL27251623 0.76 TRPA1 (0.33) SIRT3TDP1CCNCCDK8TRPA1
SCHEMBL18630229 0.76 TRPA1 (0.33) SIRT3TDP1CCNCCDK8TRPA1
SCHEMBL26508276 0.76 SIRT3 (0.35) SIRT3TDP1CCNCCDK8TRPA1

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 SIRT3 940/4885TDP1 2631/4885CCNC 532/4885

“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.