SCHEMBL6000000

SCHEMBL6000000

CC(N)(c1cccnc1)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.62
RORC P51449 4/20 0.46
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42

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
SCHEMBL5999890 0.89 CYP19A1 (0.56) CYP19A1CYP3A4CYP3A5
SCHEMBL4196221 0.84 CYP19A1 (0.55) CYP19A1CYP3A4
SCHEMBL5999690 0.83 CYP19A1 (0.45) CYP19A1RORC
SCHEMBL6000406 0.83 CYP19A1 (0.53) CYP19A1CYP3A4CYP3A5
Hydrochloric Acid SCHEMBL20186907 0.82 CYP19A1 (0.53) CYP19A1CYP3A4
SCHEMBL5999982 0.81 CYP19A1 (0.42) CYP19A1CYP3A4
SCHEMBL5998609 0.81 CYP19A1 (0.43) CYP19A1CYP3A4
SCHEMBL30927952 0.81 CYP19A1 (0.71) CYP19A1RORCCYP3A4CYP3A5
SCHEMBL29226432 0.81 CYP19A1 (0.71) CYP19A1RORCCYP3A4CYP3A5
SCHEMBL29226430 0.81 CYP19A1 (0.71) CYP19A1RORCCYP3A4CYP3A5

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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C CYP19A1 4624/4885RORC 1392/4885CYP3A4 2214/4885

“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.