Valine

Valine

SCHEMBL5940586

CC(=O)Nc1ccccc1C(N)=O.CC(C)[C@H](N)C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.54
POLB P06746 2/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
SLC7A5 Q01650 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL894741 0.84 SIRT2 (0.70) SIRT2POLBCYP2C19KDM4EALDH1A1
SCHEMBL31511888 0.78 CYP2C19 (0.54) SIRT2POLBCYP2C19KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3600528 0.78 SIRT2 (0.57) SIRT2POLBCYP2C19KDM4EALDH1A1
Valine SCHEMBL27633784 0.78 SLC7A5 (0.47) POLBCYP2C19KDM4EALDH1A1MEN1
Anthranilamide SCHEMBL2985093 0.77 SIRT2 (0.60) SIRT2POLBCYP2C19KDM4EALDH1A1
Anthranilamide SCHEMBL2834554 0.77 SLC7A5 (0.50) KDM4EALDH1A1HPGDMAPTSLC7A5
Valine SCHEMBL2992340 0.76 SLC7A5 (0.48) POLBCYP2C19KDM4EALDH1A1RAB9A
SCHEMBL9361714 0.75 CYP2C19 (0.57) SIRT2POLBCYP2C19KDM4EALDH1A1
Valine SCHEMBL20522584 0.74 IRAK4 (0.55) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL30621148 0.73 TP53 (0.61) SIRT2POLBKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040266881-A1 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. 2004-12-30 US disclosed
US-6759433-B2 FOR THERAPY OF PARKINSON'S DISEASE RENOVIS, INC. 2004-07-06 US disclosed
US-20030176510-A1 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. 2003-09-18 US disclosed
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 disclosed
US-20010037040-A1 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. 2001-11-01 US disclosed
EP-0819113-B1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS INC (US) 2001-06-27 EP disclosed
EP-1079820-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-03-07 EP disclosed
US-6194465-B1 ADMINISTERING ACETAMIDO-, NITRO-, OR AMINO-MONO- OR DISUBSTITUTED N-ALKYL BENZAMIDE COMPOUNDS SUCH AS N-TERT-BUTYL-4-ACETAMIDOBENZAMIDE FOR PROPHLAXIS OR TREATMENT OF AN INFLAMMATORY BOWEL CONDITION IN A PATIENT CENTAUR PHARMACEUTICALS, INC. 2001-02-27 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
EP-0912171-A1 BENZAMIDE TREATMENT OF DEMENTIA ASSOCIATED WITH AIDS VIRUS (HIV-1) INFECTION CENTAUR PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
US-5756548-A TREATMENT OF PARKINSON*S DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1998-05-26 US disclosed
EP-0819113-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-21 EP disclosed
WO-1997038684-A1 BENZAMIDE TREATMENT OF DEMENTIA ASSOCIATED WITH AIDS VIRUS (HIV-1) INFECTION CENTAUR PHARMACEUTICALS, INC. (US) 1997-10-23 WO 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-20040266881-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 SIRT2 1265/4885POLB 468/4885CYP2C19 2072/4885
US-20010037040-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 SIRT2 1265/4885POLB 468/4885CYP2C19 2072/4885
US-20060100461-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 SIRT2 1265/4885POLB 468/4885CYP2C19 2072/4885
US-20030176510-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 SIRT2 1265/4885POLB 468/4885CYP2C19 2072/4885

“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.