SCHEMBL6931435

SCHEMBL6931435

COc1cc(C(=O)Nc2ccc(/C(CCC(=O)O)=N\O)cc2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ABCB1 P08183 1/20 0.58
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 1/20 0.58
LMNA P02545 5/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
GFER P55789 1/20 0.56
MCL1 Q07820 1/20 0.56
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
SMO Q99835 1/20 0.50
ATM Q13315 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
POLB P06746 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
SCHEMBL6931443 1.00 MEN1 (0.59) MEN1KMT2AABCB1MAPTSMN1; SMN2
SCHEMBL6931957 0.89 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL6931959 0.89 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL6931401 0.86 KMT2A (0.57) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL6931402 0.86 KMT2A (0.57) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL6926630 0.85 MEN1 (0.64) MEN1KMT2AABCB1MAPTSMN1; SMN2
SCHEMBL6930117 0.83 NPC1 (0.64) MEN1KMT2ASMN1; SMN2TP53LMNA
SCHEMBL6930119 0.83 NPC1 (0.64) MEN1KMT2ASMN1; SMN2TP53LMNA
SCHEMBL6931921 0.82 RAB9A (0.55) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL6931918 0.82 RAB9A (0.55) MAPTSMN1; SMN2LMNAALDH1A1MAPK1

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 4700/4885ABCB1 802/4885

“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.