SCHEMBL5506840

SCHEMBL5506840

CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
MAPT P10636 4/20 0.56
ALOX12 P18054 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
LMNA P02545 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MGLL Q99685 1/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 2/20 0.50

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
SCHEMBL27182365 0.94 PKM (0.64) PKMMAPTALOX12GAAHDAC3
SCHEMBL9734391 0.94 PKM (0.64) PKMMAPTALOX12GAAHDAC3
SCHEMBL9734576 0.94 PKM (0.64) PKMMAPTALOX12GAAHDAC3
SCHEMBL9734781 0.94 PKM (0.64) PKMMAPTALOX12GAAHDAC3
SCHEMBL9733961 0.94 PKM (0.64) PKMMAPTALOX12GAAHDAC3
SCHEMBL27182370 0.94 PKM (0.64) PKMMAPTALOX12GAAHDAC3
SCHEMBL27182359 0.94 PKM (0.64) PKMMAPTALOX12GAAHDAC3
SCHEMBL9172752 0.91 PKM (0.60) PKMMAPTALOX12SMN1; SMN2GAA
SCHEMBL9169640 0.91 PKM (0.60) PKMMAPTALOX12SMN1; SMN2GAA
Dimethylamine SCHEMBL10717788 0.89 PKM (0.57) PKMMAPTGAALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0819113-B1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS INC (US) 2001-06-27 EP 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
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
EP-4345091-A1 BENZOIC ACID DERIVATIVES, METHODS AND USES THEREOF Faculdade de Farmácia da Universidade de Lisboa (PT) 2024-04-03 EP disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
EP-1332363-A4 DETECTION OF NEURODEGENERATIVE DISORDERS DOUBLE KAY (AU) 2007-08-29 EP disclosed
US-20060100461-A1 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. 2006-05-11 US disclosed
US-5756548-A TREATMENT OF PARKINSON*S DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1998-05-26 US disclosed
CN-1182416-A Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACUETICALS INC (US) 1998-05-20 CN disclosed
US-5659082-A Nitro- and aminobenzamide compounds for neurodegenerative disorders CENTAUR PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
US-5658953-A Pharmaceutical compositions of acetamidobenzamide 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
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 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 (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-20060100461-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 PKM 1683/4885MAPT 43/4885ALOX12 1763/4885
US-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 PKM 4244/4885MAPT 2660/4885ALOX12 1677/4885

“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.