SCHEMBL2646601

SCHEMBL2646601

CC(=O)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.71
ALDH1A1 P00352 4/20 0.71
HTT P42858 3/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
GLA P06280 1/20 0.71
CASP3 P42574 1/20 0.71
SENP8 Q96LD8 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
SENP6 Q9GZR1 1/20 0.71
MAPT P10636 5/20 0.61
NPSR1 Q6W5P4 2/20 0.61
KMT2A Q03164 3/20 0.54
PKM P14618 2/20 0.51
POLB P06746 2/20 0.51
KCNMA1 Q12791 1/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL12415752 0.92 HTT (0.61) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL26607461 0.88 ALDH1A1 (0.75) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL16739563 0.87 KCNMA1 (0.63) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL11659267 0.86 ALDH1A1 (0.64) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL15156377 0.86 KMT2A (0.56) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL10574218 0.85 MAPT (0.54) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL10573721 0.84 MAPT (0.53) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL30573735 0.83 ALDH1A1 (0.64) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL5492605 0.83 ALDH1A1 (0.64) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL2282371 0.81 MAPT (0.68) HTTNPC1RAB9AMAPTNPSR1

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 14 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
EP-2809655-A1 BENZIIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS Pfizer Inc (US) 2014-12-10 EP disclosed
US-20130274243-A1 Chemical Compounds PFIZER LTD (GB) 2013-10-17 US disclosed
WO-2013114250-A1 BENZIIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER INC. (US) 2013-08-08 WO disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011047315-A1 SUBSITITUTED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP 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 (2 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 MAPK1 1602/4885ALDH1A1 1502/4885HTT 2139/4885
US-20110172280-A1 Substituted Benzimidazoles GABRA5, GABRB1, GABRA4 MAPK1 3885/4885ALDH1A1 151/4885HTT 1093/4885

“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.