SCHEMBL5108441

SCHEMBL5108441

CCOCCNC(=O)n1ccc2cc(Oc3ccnc(N(C(=O)Oc4ccccc4)C(=O)Oc4ccccc4)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.37
FGFR1 P11362 11/20 0.36
S1PR1 P21453 1/20 0.35
KDR P35968 5/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL6038814 0.97 ASAH1 (0.36) ASAH1FGFR1S1PR1KDRSCN9A
SCHEMBL5114299 0.95 SMN1; SMN2 (0.39) FGFR1S1PR1KDR
SCHEMBL6038768 0.92 SMN1; SMN2 (0.38) FGFR1S1PR1KDR
SCHEMBL5101397 0.90 KDR (0.36) S1PR1KDR
SCHEMBL5105614 0.89 S1PR1 (0.43) ASAH1S1PR1KDR
SCHEMBL5107633 0.89 MCHR1 (0.38) S1PR1KDR
SCHEMBL5108444 0.88 ASAH1 (0.37) ASAH1FGFR1SCN9A
SCHEMBL5108320 0.88 KDR (0.38) S1PR1KDR
SCHEMBL5107877 0.87 S1PR1 (0.35) S1PR1KDR
SCHEMBL6375561 0.87 KDR (0.35) S1PR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 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 (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-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ASAH1 4726/4885FGFR1 595/4885S1PR1 2534/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ASAH1 4726/4885FGFR1 595/4885S1PR1 2534/4885

“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.