SCHEMBL6932571

SCHEMBL6932571

O=C(O)CCC(=NO)c1ccc(NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
HTT P42858 1/20 0.61
GAA P10253 2/20 0.57
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 4/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.54
NPY5R Q15761 1/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52

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
SCHEMBL6932567 1.00 MAPT (0.61) MAPTHTTGAAHDAC1HDAC2
SCHEMBL6929602 0.88 EPHX2 (0.58) MAPTHTTHDAC1HDAC2RAB9A
SCHEMBL6929605 0.88 EPHX2 (0.58) MAPTHTTHDAC1HDAC2RAB9A
SCHEMBL6929474 0.87 CYP1A1 (0.60) MAPTLMNAMEN1KMT2APOLB
SCHEMBL6929467 0.87 CYP1A1 (0.60) MAPTLMNAMEN1KMT2APOLB
SCHEMBL6929923 0.83 POLB (0.59) MAPTGAALMNAHDAC8MEN1
SCHEMBL6929922 0.83 POLB (0.59) MAPTGAALMNAHDAC8MEN1
SCHEMBL6930465 0.83 MAPT (0.69) MAPTHTTGAAHDAC1HDAC2
SCHEMBL6931847 0.83 CYP1A1 (0.50) MAPTLMNAHDAC8MEN1KMT2A
SCHEMBL6925291 0.82 TP53 (0.55) MAPTHTTHDAC1HDAC2LMNA

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 MAPT 718/4885HTT 683/4885GAA 269/4885

“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.