SCHEMBL6929407

SCHEMBL6929407

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.69
MEN1 O00255 8/20 0.69
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
HPGD P15428 1/20 0.62
MAPT P10636 8/20 0.60
LMNA P02545 4/20 0.60
MAPK1 P28482 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
POLB P06746 1/20 0.60
XBP1 P17861 1/20 0.60
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 2/20 0.53
HTT P42858 2/20 0.53
CXCR2 P25025 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
SCHEMBL6929578 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6929581 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2875677 0.86 VCAM1 (0.64) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5658122 0.85 KMT2A (0.65) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6929654 0.83 KDM4E (0.68) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL1455286 0.83 KMT2A (0.90) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3604124 0.82 KMT2A (0.74) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1454119 0.81 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1455800 0.81 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1455196 0.81 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4ESMN1; 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 KMT2A 4700/4885MEN1 3055/4885ALDH1A1 1135/4885

“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.