SCHEMBL6929602

SCHEMBL6929602

O=C(O)CC/C(=N/O)c1ccc(NC(=O)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 2/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 2/20 0.54
PRMT1 Q99873 1/20 0.52
POLB P06746 2/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 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
SCHEMBL6929605 1.00 EPHX2 (0.58) EPHX2RAB9ANPC1KMT2AMEN1
SCHEMBL6932567 0.88 MAPT (0.61) RAB9AKMT2AMEN1MAPTPOLB
SCHEMBL6932571 0.88 MAPT (0.61) RAB9AKMT2AMEN1MAPTPOLB
SCHEMBL6929474 0.86 CYP1A1 (0.60) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL6929467 0.86 CYP1A1 (0.60) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL6931847 0.84 CYP1A1 (0.50) KMT2AMEN1MAPTPOLBHDAC8
SCHEMBL6929656 0.83 EPHX2 (0.65) EPHX2RAB9ANPC1KMT2AMEN1
SCHEMBL6929457 0.82 NPC1 (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6929923 0.82 POLB (0.59) KMT2AMEN1MAPTPOLBHDAC8
SCHEMBL6926272 0.82 ALDH1A1 (0.55) RAB9AKMT2AMEN1MAPTPOLB

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 EPHX2 4139/4885RAB9A 2177/4885NPC1 2628/4885

“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.