SCHEMBL6924264

SCHEMBL6924264

O=C(O)CC/C(=N/O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.67
KMT2A Q03164 10/20 0.67
THRA P10827 1/20 0.62
MAPT P10636 6/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.55
POLB P06746 1/20 0.55
BLM P54132 1/20 0.55
GAA P10253 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL6924266 1.00 MEN1 (0.67) MEN1KMT2ATHRAMAPTNPC1
SCHEMBL6924260 0.87 KMT2A (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6924258 0.87 KMT2A (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6930291 0.86 MEN1 (0.73) MEN1KMT2ATHRAMAPTNPC1
SCHEMBL6929458 0.82 NPC1 (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6929457 0.82 NPC1 (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6930425 0.81 KMT2A (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6930421 0.81 KMT2A (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6929581 0.81 KMT2A (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6929578 0.81 KMT2A (0.64) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US claimed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 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 (1 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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 MEN1 3055/4885KMT2A 4700/4885THRA 3806/4885

“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.