SCHEMBL5513636

SCHEMBL5513636

CNC(=O)c1ccc([N+](=O)[O-])cc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
MAPT P10636 3/20 0.44
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NAMPT P43490 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10608165 0.83 HSP90AA1 (0.56) HSP90AA1MAPTHIF1ATDP1CHRNB4
SCHEMBL14686864 0.83 HTT (0.54) HSP90AA1MAPTTDP1SLC6A4SLC6A3
SCHEMBL22123315 0.82 ALDH1A1 (0.57) HSP90AA1MAPTTDP1CHRNB4CHRNA3
SCHEMBL27527312 0.81 KMT2A (0.58) HSP90AA1TDP1CHRNB4CHRNA3KMT2A
SCHEMBL30313782 0.81 KMT2A (0.58) HSP90AA1TDP1CHRNB4CHRNA3KMT2A
SCHEMBL28243193 0.79 HPGD (0.56) MAPTKMT2AALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6971828 0.77 FLT1 (0.57) MAPTTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL3114410 0.77 ALDH1A1 (0.55) MAPTTDP1KMT2AALDH1A1CYP3A4
SCHEMBL16424386 0.77 HSP90AA1 (0.47) HSP90AA1MAPTTDP1SLC6A3CHRNB4
SCHEMBL5509735 0.76 PDK2 (0.41) MAPTSLC6A2SLC6A4SLC6A3ALDH1A1

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 58 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-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
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
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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
EP-0819113-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-21 EP 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
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 (4 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 HSP90AA1 906/4885MAPT 3645/4885HIF1A 3214/4885
US-20040266881-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 HSP90AA1 658/4885MAPT 43/4885HIF1A 4156/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 HSP90AA1 905/4885MAPT 3606/4885HIF1A 2994/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X HSP90AA1 1350/4885MAPT 3489/4885HIF1A 3979/4885

“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.