SCHEMBL5507897

SCHEMBL5507897

CC(=O)Nc1ccc(C(=O)NCC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 1/20 0.61
NAMPT P43490 2/20 0.59
MLYCD O95822 1/20 0.58
HSD17B10 Q99714 2/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
EPHX2 P34913 3/20 0.56
HPGD P15428 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NFKB1 P19838 1/20 0.56
KCNH2 Q12809 1/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL15087813 0.89 NAMPT (0.60) SMN1; SMN2HTTNAMPTHSD17B10PKM
SCHEMBL5506650 0.86 NAMPT (0.62) SMN1; SMN2HTTNAMPTHSD17B10PKM
SCHEMBL17865783 0.86 MLYCD (0.73) SMN1; SMN2HTTNAMPTMLYCDHSD17B10
SCHEMBL7527418 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HTTNAMPTHSD17B10PKM
SCHEMBL13652522 0.84 KMT2A (0.57) SMN1; SMN2NAMPTMLYCDHSD17B10MAPK1
SCHEMBL23106513 0.83 MLYCD (0.61) SMN1; SMN2NAMPTMLYCDHSD17B10EPHX2
SCHEMBL12368426 0.81 ALDH1A1 (0.65) SMN1; SMN2HTTNAMPTEPHX2HPGD
SCHEMBL23106506 0.80 HPGD (0.60) SMN1; SMN2NAMPTMLYCDHSD17B10EPHX2
SCHEMBL13922754 0.79 ALDH1A1 (0.59) SMN1; SMN2HTTEPHX2HPGDALDH1A1
SCHEMBL7478908 0.79 ALDH1A1 (0.59) SMN1; SMN2HTTEPHX2HPGDALDH1A1

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 33 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
US-6759433-B2 FOR THERAPY OF PARKINSON'S DISEASE RENOVIS, INC. 2004-07-06 US claimed
EP-1332363-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2003-08-06 EP claimed
US-6509378-B2 Parkinson's disease; ability to antagonize MPTP induced reduction in dopamine levels; amidation of the nitrobenzoyl halide with alkylamine CENTAUR PHARMACEUTICALS, INC. 2003-01-21 US claimed
WO-2002031499-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2002-04-18 WO claimed
US-6140369-A PARTICULARLY, DOPAMINE DEPLETION-ASSOCIATED NEURODEGENERATIVE CONDITION OF THE CENTRAL NERVOUS SYSTEM; PARKINSON'S DISEASE; ALZHEIMER'S DISEASE; MITOCHONDRIAL DYSFUNCTION; ABNORMAL DOPAMINE DEPLETION IN SELECTED REGIONS OF THE BRAIN CENTAUR PHARMACEUTICALS, INC. (US) 2000-10-31 US claimed
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-7005546-B2 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. (US) 2006-02-28 US disclosed
US-20050260577-A1 Detection of neurodegenerative disorders POWMRI LIMITED (AU) 2005-11-24 US disclosed
EP-1581202-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME Renovis, Inc. (US) 2005-10-05 EP disclosed
US-20040266881-A1 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. 2004-12-30 US disclosed
US-5955506-A ACETAMIDOBENZAMIDE COMPOUNDS FOR TREATMENT OF PARKINSON'S DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-09-21 US disclosed
US-5914350-A TREATING PARKINSON*S DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-06-22 US disclosed
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 disclosed
US-5756548-A TREATMENT OF PARKINSON*S DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1998-05-26 US 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

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 SMN1; SMN2 8/4885HTT 13/4885NAMPT 1329/4885
US-20060100461-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 SMN1; SMN2 8/4885HTT 13/4885NAMPT 1329/4885

“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.