SCHEMBL6933207

SCHEMBL6933207

COc1ccccc1C(=O)Nc1ccc(/C(CCC(=O)O)=N\O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
ALDH1A1 P00352 4/20 0.64
RAB9A P51151 3/20 0.64
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
KCNK3 O14649 4/20 0.56
KCNK9 Q9NPC2 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 3/20 0.55
TP53 P04637 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.51
KCNMA1 Q12791 1/20 0.50

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
SCHEMBL6933214 1.00 MAPT (0.64) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6931918 0.87 RAB9A (0.55) MAPTALDH1A1RAB9AKDM4ELMNA
SCHEMBL6931921 0.87 RAB9A (0.55) MAPTALDH1A1RAB9AKDM4ELMNA
SCHEMBL6924409 0.85 MAPT (0.70) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6927629 0.85 HDAC8 (0.57) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6931332 0.85 NPC1 (0.54) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6927623 0.85 HDAC8 (0.57) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6931326 0.85 NPC1 (0.54) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6931957 0.82 MEN1 (0.60) MAPTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL6931959 0.82 MEN1 (0.60) MAPTALDH1A1RAB9AKMT2AKDM4E

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 MAPT 718/4885ALDH1A1 1135/4885RAB9A 2177/4885

“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.