SCHEMBL6931785

SCHEMBL6931785

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccccc2I)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
TDP1 Q9NUW8 2/20 0.65
NR4A2 P43354 1/20 0.51
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
FFAR1 O14842 2/20 0.50
RAB9A P51151 2/20 0.50
HIF1A Q16665 1/20 0.50
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
SMO Q99835 2/20 0.47
BCAT2 O15382 1/20 0.46
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL5656688 0.84 LMNA (0.64) KMT2AMEN1NR4A2LMNACYP1A2
SCHEMBL6933183 0.84 MEN1 (0.58) KMT2AMEN1TDP1LMNASMN1; SMN2
SCHEMBL6933185 0.84 MEN1 (0.58) KMT2AMEN1TDP1LMNASMN1; SMN2
SCHEMBL6926081 0.83 MEN1 (0.67) KMT2AMEN1TDP1NR4A2LMNA
SCHEMBL6927758 0.82 NR4A2 (0.67) KMT2AMEN1TDP1NR4A2LMNA
SCHEMBL6931306 0.81 NR1H4 (0.66) KMT2AMEN1NR4A2LMNASMN1; SMN2
SCHEMBL6924409 0.80 MAPT (0.70) KMT2AMEN1LMNACYP1A2SMN1; SMN2
Benodanil SCHEMBL29402073 0.80 MEN1 (1.00) KMT2AMEN1TDP1LMNACYP1A2
Benodanil SCHEMBL18736 0.80 MEN1 (1.00) KMT2AMEN1TDP1LMNACYP1A2
SCHEMBL13814814 0.80 MEN1 (0.63) KMT2AMEN1TDP1LMNASMN1; 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 3055/4885TDP1 236/4885

“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.