SCHEMBL5114299

SCHEMBL5114299

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 1/20 0.36
FGFR1 P11362 9/20 0.36
ITGB3 P05106 3/20 0.36
ITGAV P06756 3/20 0.36
ITGB5 P18084 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 1/20 0.34

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
SCHEMBL6038768 0.97 SMN1; SMN2 (0.38) SMN1; SMN2S1PR1FGFR1ITGB3ITGAV
SCHEMBL5108441 0.95 ASAH1 (0.37) S1PR1FGFR1KDR
SCHEMBL6038814 0.92 ASAH1 (0.36) S1PR1FGFR1KDR
SCHEMBL5105614 0.91 S1PR1 (0.43) S1PR1ITGB3ITGAVKDR
SCHEMBL6514499 0.89 SMN1; SMN2 (0.37) SMN1; SMN2S1PR1FGFR1ITGB3ITGAV
SCHEMBL5107877 0.89 S1PR1 (0.35) S1PR1ITGB3ITGAVITGB5KDR
SCHEMBL5101397 0.89 KDR (0.36) S1PR1KDR
SCHEMBL5114304 0.88 FGFR1 (0.35) FGFR1KDR
SCHEMBL5107633 0.87 MCHR1 (0.38) SMN1; SMN2S1PR1TSHRKMT2AKDR
SCHEMBL5107755 0.87 ITGB3 (0.38) SMN1; SMN2S1PR1FGFR1ITGB3ITGAV

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 SMN1; SMN2 3950/4885S1PR1 2534/4885FGFR1 595/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 SMN1; SMN2 3950/4885S1PR1 2534/4885FGFR1 595/4885

“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.