SCHEMBL4960015

SCHEMBL4960015

CCCCNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
TSHR P16473 1/20 0.69
CTSD P07339 1/20 0.60
HPGD P15428 4/20 0.60
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NAAA Q02083 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL5508331 0.96 HTT (0.62) HTTTSHRCTSDHPGDALDH1A1
SCHEMBL9172165 0.94 NAAA (0.63) HTTTSHRCTSDHPGDALDH1A1
SCHEMBL9647801 0.94 NAAA (0.63) HTTTSHRCTSDHPGDALDH1A1
SCHEMBL13753116 0.91 CTSD (0.64) HTTTSHRCTSDHPGDALDH1A1
SCHEMBL9492867 0.89 CTSD (0.66) HTTCTSDHPGDALDH1A1KMT2A
SCHEMBL10974915 0.85 CTSD (0.60) HTTCTSDHPGDALDH1A1KMT2A
SCHEMBL7968179 0.85 CTSD (0.60) HTTCTSDHPGDALDH1A1KMT2A
SCHEMBL9227085 0.85 CTSD (0.60) HTTCTSDHPGDALDH1A1KMT2A
SCHEMBL13753006 0.84 CTSD (0.68) HTTCTSDHPGDALDH1A1KMT2A
SCHEMBL27530392 0.83 NAAA (0.60) HTTTSHRHPGDALDH1A1KMT2A

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732519-A Synthetic method of nitrogenous heterocyclic compound 武汉理工大学 2016-07-06 CN claimed
EP-1332363-A4 DETECTION OF NEURODEGENERATIVE DISORDERS DOUBLE KAY (AU) 2007-08-29 EP claimed
US-20050260577-A1 Detection of neurodegenerative disorders POWMRI LIMITED (AU) 2005-11-24 US claimed
US-20040266881-A1 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. 2004-12-30 US claimed
EP-1332363-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2003-08-06 EP claimed
WO-2002031499-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2002-04-18 WO claimed
CN-1073552-C Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACEUTICALS INC (US) 2001-10-24 CN claimed
EP-0819113-B1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS INC (US) 2001-06-27 EP claimed
US-5914350-A TREATING PARKINSON*S DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-06-22 US claimed
US-5907061-A AMIDATION A NITROBENZOYLHALIDE WITH A SATURATED ALKYLAMINE TO FORM A DRUG TREATING PARKINSON'S DISEASE OR SLOW THE PROGRESSIVE LOSS OF FUNCTION CENTAUR PHARMACEUTICALS, INC. (US) 1999-05-25 US claimed
CN-1182416-A Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACUETICALS INC (US) 1998-05-20 CN claimed
EP-0819113-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-21 EP claimed
US-5659082-A Nitro- and aminobenzamide compounds for neurodegenerative disorders CENTAUR PHARMACEUTICALS, INC. (US) 1997-08-19 US claimed
WO-1996031462-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1996-10-10 WO claimed
CN-105732519-A Synthetic method of nitrogenous heterocyclic compound 武汉理工大学 2016-07-06 CN disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-5659082-A Nitro- and aminobenzamide compounds for neurodegenerative disorders CENTAUR PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
US-5643965-A TREATMENT OF DOPAMINE ASSOCIATED NERVOUS SYSTEM DISORDERS CENTAUR PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
WO-1996031462-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1996-10-10 WO 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-20040266881-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 HTT 13/4885TSHR 4398/4885CTSD 543/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 HTT 4255/4885TSHR 184/4885CTSD 4042/4885

“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.