SCHEMBL6297941

SCHEMBL6297941

COc1cc(CC#Cc2ccc3ncn(Cc4ccc(C(=O)O)cc4)c(=O)c3c2)ccn1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.78
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.48

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
SCHEMBL6296011 0.88 MMP13 (0.69) MMP13HDAC3HDAC4HDAC1HDAC7
SCHEMBL5696784 0.88 MMP13 (1.00) MMP13HDAC3HDAC4HDAC1HDAC7
SCHEMBL6297360 0.86 MMP13 (0.85) MMP13SLC22A8
SCHEMBL6302678 0.86 MMP13 (0.85) MMP13HDAC3HDAC4HDAC1HDAC7
SCHEMBL6296263 0.86 MMP13 (0.60) MMP13HDAC3HDAC4HDAC1HDAC7
SCHEMBL6302759 0.86 MMP13 (0.84) MMP13SLC22A8
SCHEMBL6302830 0.85 MMP13 (0.82) MMP13SLC22A8
SCHEMBL5697007 0.84 MMP13 (1.00) MMP13SLC22A8
SCHEMBL6297355 0.84 MMP13 (0.87) MMP13
SCHEMBL6297935 0.83 MMP13 (0.85) MMP13HDAC3HDAC4HDAC1HDAC7

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-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 US disclosed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO 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 (2 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH MMP13 1/4885HDAC3 154/4885HDAC4 1135/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885HDAC3 108/4885HDAC4 815/4885

“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.