SCHEMBL6925527

SCHEMBL6925527

O=C(O)CCC(=NO)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
PKM P14618 1/20 0.58
BCAT2 O15382 1/20 0.57
PTGDR2 Q9Y5Y4 4/20 0.50
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PRMT1 Q99873 1/20 0.47
CCR2 P41597 1/20 0.46

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
SCHEMBL6925526 1.00 KDM4E (0.62) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL6929674 0.85 POLB (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6929675 0.85 POLB (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6929581 0.85 KMT2A (0.64) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL6929578 0.85 KMT2A (0.64) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL6929654 0.84 KDM4E (0.68) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL6929458 0.82 NPC1 (0.57) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL6929457 0.82 NPC1 (0.57) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL6930433 0.82 TYK2 (0.49) KDM4EKMT2ALMNAPOLBSMN1; SMN2
SCHEMBL6930436 0.82 TYK2 (0.49) KDM4EKMT2ALMNAPOLBSMN1; 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 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 KDM4E 4232/4885MEN1 3055/4885KMT2A 4700/4885

“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.