SCHEMBL15311018

SCHEMBL15311018

CC(C)(C)c1ccc2[nH]c(C3(N)CCCC3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 12/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PARP1 P09874 3/20 0.40
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ METAP2 P50579 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
SCHEMBL15311000 0.99 PARP1 (0.41) SCN10AKCNH2PARP1HCRTR1HCRTR2
SCHEMBL15311225 0.97 SCN10A (0.40) SCN10AKCNH2PARP1HCRTR1HCRTR2
SCHEMBL15311010 0.83 SCN10A (0.38) SCN10AKCNH2HCRTR1HCRTR2KIF11
SCHEMBL15310967 0.83 PARP1 (0.44) SCN10AKCNH2PARP1KIF11HDAC6
SCHEMBL5104085 0.77 PARP1 (0.44) PARP1HCRTR1HCRTR2HRH4HRH3
SCHEMBL5100661 0.75 PARP1 (0.43) PARP1HCRTR1HCRTR2HRH4HRH3
SCHEMBL13619366 0.72 FABP6 (0.50) SCN10AKCNH2KIF11HDAC6HRH4
SCHEMBL5104031 0.72 HRH4 (0.41) PARP1HRH4
SCHEMBL15311013 0.71 PARP1 (0.41) PARP1HDAC6
SCHEMBL1173774 0.71 PARP1 (0.45) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809655-B1 BENZIIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER (US) 2015-08-12 — — EP disclosed
US-8927587-B2 Chemical compounds PFIZER LIMITED (GB) 2015-01-06 — — US disclosed
US-20130274243-A1 Chemical Compounds PFIZER LTD (GB) 2013-10-17 — — 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-20130274243-A1 Chemical Compounds SCN8A, SCN5A, KCNJ8 SCN10A 51/4885KCNH2 7/4885PARP1 2659/4885

“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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