SCHEMBL18659836

SCHEMBL18659836

CC(C)(C)c1nc2c(C(F)(F)F)cc(CC(C)(C)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 13/20 0.43
▸ CACNA1C Q13936 7/20 0.43
▸ CACNA1G O43497 4/20 0.43
▸ CACNA1B Q00975 7/20 0.39
▸ NPBWR1 P48145 2/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL20863643 0.82 CACNA1H (0.37) CACNA1HCACNA1CCACNA1GCACNA1BNPBWR1
SCHEMBL10284433 0.80 KIF11 (0.47) NPBWR1SCN10A
SCHEMBL10284440 0.73 CACNA1H (0.63) CACNA1HCACNA1CCACNA1GCACNA1B
SCHEMBL5681855 0.70 NPSR1 (0.59) NPBWR1
SCHEMBL846855 0.70 SCN10A (0.58) SCN10A
SCHEMBL13896660 0.70 SCN10A (0.44) SCN10A
SCHEMBL13483956 0.69 NPSR1 (0.54) SCN10A
SCHEMBL14336639 0.69 KCNH2 (0.62) NPBWR1SCN10A
SCHEMBL10248217 0.68 CACNA1H (0.46) CACNA1HCACNA1CCACNA1GCACNA1B
SCHEMBL12402382 0.67 SCN10A (0.51) SCN10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670463-B2 Inhibition and enhancement of reprogramming by chromatin modifying enzymes CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-06-06 — — US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 — — 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-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 CACNA1H 4678/4885CACNA1C 4692/4885CACNA1G 4686/4885

“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.

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