SCHEMBL6298035

SCHEMBL6298035

O=C(O)c1ccc(Cn2cnc3ccc(I)cc3c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 17/20 0.64
▸ SLC22A8 Q8TCC7 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PABPC1 P11940 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SCD O00767 1/20 0.51

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
SCHEMBL27660577 0.89 MMP13 (0.63) MMP13SCD
SCHEMBL27645087 0.88 MMP13 (0.51) MMP13MEN1KMT2A
SCHEMBL23520500 0.86 MMP13 (0.65) MMP13SCD
SCHEMBL6302762 0.86 MMP13 (0.65) MMP13SLC22A8SCD
SCHEMBL6014176 0.86 GRK2 (0.65) MMP13SCD
SCHEMBL6297376 0.84 MMP13 (0.63) MMP13SLC22A8
SCHEMBL6302269 0.84 MMP13 (0.60) MMP13MEN1KMT2ASCD
SCHEMBL6297371 0.83 RECQL (0.54) MMP13SCD
SCHEMBL5696971 0.83 MMP13 (0.65) MMP13
SCHEMBL24754468 0.82 SMN1; SMN2 (0.70) MMP13MEN1TP53PABPC1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1738806-A Oxo-azabicyclic compounds WARNER LAMBERT CO (US) 2006-02-22 — — CN disclosed
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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds WARNER-LAMBERT COMPANY LLC 2004-09-02 — — US 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
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 — — WO disclosed
WO-2004014867-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 — — WO 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
WO-2003076416-A1 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 (3 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 1/4885SLC22A8 953/4885MEN1 1133/4885
US-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds MMP13, MMP3, MMP26 MMP13 1/4885SLC22A8 1553/4885MEN1 1523/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885SLC22A8 1032/4885MEN1 1125/4885

“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.

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