SCHEMBL6925547

SCHEMBL6925547

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 6/20 0.60
POLB P06746 2/20 0.58
TP53 P04637 2/20 0.53
MAPT P10636 4/20 0.52
USP2 O75604 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NR4A2 P43354 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL6931407 0.89 KMT2A (0.60) KMT2AMEN1POLBNR4A2LMNA
SCHEMBL6927758 0.87 NR4A2 (0.67) KMT2AMEN1POLBMAPTTDP1
SCHEMBL100952 0.85 NR4A2 (0.65) KMT2AMEN1POLBNR4A2LMNA
SCHEMBL6925253 0.84 TP53 (0.58) KMT2AMEN1POLBTP53LMNA
SCHEMBL6925985 0.84 MITF (0.66) KMT2AMEN1POLBTP53TDP1
SCHEMBL6926264 0.84 KMT2A (0.72) KMT2AMEN1POLBMAPTUSP2
SCHEMBL6924368 0.83 SMN1; SMN2 (0.73) KMT2AMEN1POLBMAPTNR1H4
SCHEMBL3679372 0.83 KMT2A (0.76) KMT2AMEN1POLBTP53MAPT
SCHEMBL21798720 0.83 KMT2A (0.76) KMT2AMEN1POLBTP53MAPT
SCHEMBL6929421 0.82 ALDH1A1 (0.56) KMT2AMEN1POLBTP53MAPT

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 KMT2A 4700/4885MEN1 3055/4885POLB 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.