SCHEMBL6000245

SCHEMBL6000245

CC(N)(c1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.49
KIF11 P52732 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4196221 0.87 CYP19A1 (0.55) CYP19A1KIF11CYP11B1CYP11B2LMNA
SCHEMBL5999494 0.85 CYP19A1 (0.50) CYP19A1KIF11CYP11B1CYP11B2LMNA
Hydrochloric Acid SCHEMBL20186907 0.85 CYP19A1 (0.53) CYP19A1KIF11CYP11B1CYP11B2LMNA
SCHEMBL5998626 0.84 CYP19A1 (0.54) CYP19A1KIF11CYP11B1CYP11B2LMNA
Hydrochloric Acid SCHEMBL27518112 0.84 CYP19A1 (0.49) CYP19A1KIF11CYP11B1CYP11B2LMNA
SCHEMBL5999982 0.83 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2LMNACYP1A2
SCHEMBL5999469 0.80 CYP19A1 (0.42) CYP19A1KIF11CYP11B1CYP11B2CYP1A2
SCHEMBL6000109 0.80 KIF11 (0.42) CYP19A1KIF11CYP11B1CYP11B2LMNA
SCHEMBL25981366 0.79 KCNN4 (0.44) KIF11CYP3A4TDP1
SCHEMBL6716682 0.76 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2LMNACYP1A2

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 4624/4885KIF11 3865/4885CYP11B1 2146/4885

“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.