SCHEMBL6689084

SCHEMBL6689084

NC(=O)[N+]1(Cc2ccc(-c3ccncc3)cc2)C[C@H](C(=O)O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
GSK3B P49841 5/20 0.33
CLK4 Q9HAZ1 5/20 0.33
ROCK2 O75116 4/20 0.33
MAP4K4 O95819 3/20 0.33
CDC7 O00311 3/20 0.33
MKNK2 Q9HBH9 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GRM2 Q14416 1/20 0.32
RPS6KA5 O75582 4/20 0.32
ROCK1 Q13464 4/20 0.32

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
SCHEMBL6691337 0.93 HSD17B10 (0.35) CYP17A1ALDH1A1MAPTHSD17B10
SCHEMBL6690390 0.77 MMP13 (0.40) MMP13GRM2
SCHEMBL6698112 0.76 KCNH2 (0.46) MMP13
SCHEMBL6693857 0.73 MMP1 (0.48) ALDH1A1MAPTMMP13MEN1KMT2A
SCHEMBL6693876 0.64 ACACB (0.35) MMP13
SCHEMBL28103661 0.61 CYP17A1 (0.56) CYP17A1MAPTMMP12MMP13MEN1
SCHEMBL5027971 0.59 CYP17A1 (0.50) CYP17A1MMP12MMP13GSK3BCLK4
SCHEMBL5149062 0.59 ABCC4 (0.67) CYP17A1MMP12MMP13GSK3BCLK4
SCHEMBL17556825 0.58 NAAA (0.38) CYP17A1ALDH1A1MAPTMMP12MMP13
SCHEMBL933900 0.58 CYP17A1 (0.51) CYP17A1MMP12MMP13ROCK2ROCK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134215-B1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases PFIZER PROD INC (US) 2004-10-06 EP claimed
US-20020147224-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases ROBINSON RALPH P (US) 2002-10-10 US claimed
US-20010041710-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases PFIZER PRODUCTS INC. 2001-11-15 US claimed
EP-1134215-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases Pfizer Products Inc. (US) 2001-09-19 EP claimed
EP-1134215-B1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases PFIZER PROD INC (US) 2004-10-06 EP disclosed
US-20020147224-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases ROBINSON RALPH P (US) 2002-10-10 US disclosed
US-6458822-B2 (4R)-1-(4-(4-FLUOROPHENOXY)BENZYL)-2-OXO-IMIDAZOLIDINE-4 -CARBOXYLIC ACID HYDROXYAMIDE, FOR EXAMPLE; TREATING VARIOUS DISEASES INCLUDING OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CANCER, OSTEOPOROSIS, STROKES PFIZER INC. 2002-10-01 US disclosed
US-20010041710-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases PFIZER PRODUCTS INC. 2001-11-15 US disclosed
EP-1134215-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases Pfizer Products Inc. (US) 2001-09-19 EP 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-20020147224-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases MMP1, MMP8, MMP13 CYP17A1 673/4885ALDH1A1 1097/4885MAPT 1772/4885
US-20010041710-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases MMP1, MMP8, MMP13 CYP17A1 673/4885ALDH1A1 1097/4885MAPT 1772/4885

“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.