SCHEMBL6926640

SCHEMBL6926640

O=C(O)CCC(=O)c1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 2/20 0.60
HDAC1 Q13547 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
TRPV1 Q8NER1 1/20 0.52
KDM1A O60341 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL6926819 0.85 HDAC1 (0.51) MEN1KMT2APOLBHDAC1HDAC8
SCHEMBL6926814 0.85 HDAC1 (0.51) MEN1KMT2APOLBHDAC1HDAC8
SCHEMBL20508341 0.82 HDAC1 (0.69) POLBHDAC1HDAC8HDAC3HDAC4
SCHEMBL6932654 0.82 POLB (0.66) MEN1KMT2APOLBL3MBTL1ATM
SCHEMBL13814817 0.81 NR1H4 (0.71) MEN1KMT2APOLBHDAC1HDAC8
SCHEMBL17064258 0.81 HDAC3 (0.59) MEN1KMT2AHDAC1HDAC8HDAC3
SCHEMBL20508340 0.81 TRPV1 (0.73) MEN1KMT2AHDAC1HDAC8HDAC3
SCHEMBL6931407 0.81 KMT2A (0.60) MEN1KMT2APOLBHDAC1HDAC8
SCHEMBL6929377 0.80 CYP1A1 (0.68) MEN1KMT2APOLBL3MBTL1ATM
SCHEMBL6930465 0.80 MAPT (0.69) MEN1KMT2APOLBHDAC1HDAC8

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 4700/4885POLB 237/4885

“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.