SCHEMBL6931407

SCHEMBL6931407

O=C(O)CCC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
POLB P06746 1/20 0.60
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
NR4A2 P43354 1/20 0.50
RAB9A P51151 2/20 0.49
FFAR1 O14842 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
PKM P14618 1/20 0.48
HDAC1 Q13547 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NPC1 O15118 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
SCHEMBL6925547 0.89 KMT2A (0.60) KMT2AMEN1POLBNR4A2LMNA
SCHEMBL6931859 0.87 NR4A2 (0.63) KMT2AMEN1POLBMAOAMAOB
SCHEMBL100952 0.86 NR4A2 (0.65) KMT2AMEN1POLBNR4A2RAB9A
SCHEMBL6932000 0.84 TP53 (0.60) KMT2AMEN1POLBNR4A2RAB9A
SCHEMBL6930410 0.84 KMT2A (0.74) KMT2AMEN1POLBNR4A2RAB9A
SCHEMBL6931350 0.84 TP53 (0.60) KMT2AMEN1POLBNR4A2RAB9A
SCHEMBL6931746 0.83 KMT2A (0.52) KMT2AMEN1POLBRAB9ALMNA
SCHEMBL7865681 0.81 SMN1; SMN2 (0.72) KMT2ANR4A2RAB9AFFAR1LMNA
SCHEMBL6926640 0.81 MEN1 (0.60) KMT2AMEN1POLBRAB9ASMN1; SMN2
SCHEMBL6931569 0.80 RAB9A (0.65) KMT2AMEN1POLBRAB9ACYP1A2

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.