SCHEMBL5865309

SCHEMBL5865309

O=C(/C=C/C(=O)ONc1ccnc(C2=Cc3cc(Cl)ccc3CC2)c1)ONc1ccnc(C2=Cc3cc(Cl)ccc3CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CYP11B2 P19099 1/20 0.30

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
SCHEMBL5865544 0.86 CYP11B2 (0.47) CYP11B2
SCHEMBL5865008 0.84 KDM4E (0.32)
SCHEMBL5865017 0.81 CYP11B2 (0.31) CYP11B2
SCHEMBL5865386 0.78
SCHEMBL5864811 0.76 KDM1A (0.34)
Fumaric Acid SCHEMBL27590119 0.75 HRH1 (0.36)
Fumaric Acid SCHEMBL5865308 0.75 HRH1 (0.36)
Fumaric Acid SCHEMBL5865311 0.75 HRH1 (0.36)
SCHEMBL5865223 0.74
SCHEMBL5865035 0.72 ASIC3 (0.37) CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034044-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2006-04-25 US disclosed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 US disclosed
US-6951875-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1443926-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP disclosed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 US disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 US disclosed
WO-2003037333-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 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-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C CNR1 109/4885FNTA 2127/4885FNTB 1688/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C CNR1 109/4885FNTA 2127/4885FNTB 1688/4885
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN3A, GRIN2C CNR1 152/4885FNTA 2024/4885FNTB 1646/4885

“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.