SCHEMBL6000276

SCHEMBL6000276

CCC(N)(c1ccncc1)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.43
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
KIF11 P52732 3/20 0.39
ROCK1 Q13464 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
RORC P51449 1/20 0.35
LIMK1 P53667 1/20 0.35
PNMT P11086 1/20 0.34

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
SCHEMBL5999722 0.86 CYP19A1 (0.57) CYP19A1RORC
SCHEMBL5999962 0.85 CYP19A1 (0.39) CYP19A1KIF11ROCK1MEN1KMT2A
SCHEMBL6000278 0.82 MAPK14 (0.40) KIF11MEN1KMT2ASMN1; SMN2GAA
SCHEMBL5999689 0.81 CYP19A1 (0.55) CYP19A1MEN1KMT2A
SCHEMBL5999709 0.81 KIF11 (0.49) KIF11MAPT
SCHEMBL6000236 0.81 KCNN4 (0.40) CYP19A1KIF11KMT2A
SCHEMBL5999440 0.81 CA1 (0.38) KIF11MAPT
SCHEMBL5999690 0.80 CYP19A1 (0.45) CYP19A1SCN5ASCN9AKIF11ROCK1
SCHEMBL5999593 0.79 TSHR (0.41) CYP19A1KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL6000325 0.75 CYP17A1 (0.39) CYP19A1KIF11

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 4624/4885SCN5A 429/4885SCN9A 832/4885

“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.