SCHEMBL6038705

SCHEMBL6038705

CNC(=O)n1ccc2ccc(Oc3cc(OC(=O)NC(=O)Oc4ccccc4)ncn3)cc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.41
KCNH2 Q12809 2/20 0.40
TNNI3K Q59H18 1/20 0.37
PPARG P37231 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 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
SCHEMBL6038763 0.89 GCK (0.40) PPARG
SCHEMBL5107640 0.83 KDR (0.40) KDRKCNH2TNNI3KPPARG
SCHEMBL6038797 0.82 LOXL2 (0.37) KDRKCNH2TNNI3K
SCHEMBL6038700 0.82 MAP2K7 (0.40) KDRKCNH2TNNI3K
SCHEMBL13999413 0.80 KDR (0.51) KDRKCNH2TNNI3K
SCHEMBL5107630 0.80 KDR (0.55) KDRKCNH2TNNI3K
SCHEMBL6517430 0.75 GCK (0.37) PPARG
SCHEMBL5107641 0.74 MAP2K7 (0.37) KDRKCNH2
SCHEMBL5101452 0.74 GCK (0.40)
SCHEMBL5115233 0.74 KDR (0.46) KDRKCNH2TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDR 1940/4885KCNH2 955/4885TNNI3K 4308/4885

“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.