SCHEMBL5108282

SCHEMBL5108282

CCN(CC)CCNC(=O)n1ccc2cc(Oc3ccnc(N(C(=O)O)c4ccccc4)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KCNH2 Q12809 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
SCN1A P35498 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
GHSR Q92847 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL5114000 0.89 ASAH1 (0.37) KCNH2S1PR1KDR
SCHEMBL5107755 0.87 ITGB3 (0.38) SMN1; SMN2S1PR1KDR
SCHEMBL5115194 0.87 S1PR1 (0.36) ALDH1A1KCNH2MEN1KMT2AS1PR1
SCHEMBL6038445 0.86 MCHR1 (0.37) MCHR1KDM4EALDH1A1KCNH2SMN1; SMN2
SCHEMBL5107633 0.86 MCHR1 (0.38) MCHR1KDM4EALDH1A1KCNH2SMN1; SMN2
SCHEMBL5107637 0.83 MCHR1 (0.35) MCHR1KDM4EALDH1A1KCNH2SMN1; SMN2
SCHEMBL6038586 0.82 BRAF (0.41) S1PR1KDR
SCHEMBL6038451 0.81 MCHR1 (0.38) MCHR1KDM4EALDH1A1KCNH2SMN1; SMN2
SCHEMBL13999513 0.79 FGFR1 (0.40) KDR
SCHEMBL5101328 0.78 NPC1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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 MCHR1 599/4885KDM4E 2341/4885ALDH1A1 1501/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MCHR1 599/4885KDM4E 2341/4885ALDH1A1 1501/4885

“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.