SCHEMBL6807698

SCHEMBL6807698

Cc1nc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.67
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
RARA P10276 6/20 0.55
RARB P10826 6/20 0.55
RARG P13631 6/20 0.55
NR1H4 Q96RI1 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMYD3 Q9H7B4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAPK14 Q16539 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
SCHEMBL326978 0.98 PLK1 (0.69) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL27574154 0.86 PLK1 (0.71) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL8792955 0.85 PLK1 (0.65) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL25463237 0.84 PLK1 (0.69) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL5465792 0.84 PLK1 (0.52) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL7450212 0.84 MAPK14 (0.57) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL13415301 0.83 L3MBTL1 (0.69) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL5843831 0.83 PLK1 (0.67) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL1021042 0.83 PLK1 (0.67) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL7554084 0.82 PLK1 (0.97) PLK1LMNATSHRNFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor JOHNSON CHRISTOPHER NORBERT (GB) 2004-04-01 US disclosed
EP-1305304-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
EP-0917530-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-02-19 EP disclosed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 WO disclosed
EP-0799226-B1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-6046210-A ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-04 US disclosed
US-5972951-A Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-10-26 US disclosed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 WO disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1996019477-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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 (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-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor CNR1, GPR3, CCKAR PLK1 4743/4885LMNA 2527/4885TSHR 119/4885

“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.