SCHEMBL6041223

SCHEMBL6041223

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.36
GAA P10253 1/20 0.36
ROCK1 Q13464 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDR P35968 2/20 0.33
LNPEP Q9UIQ6 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
TUBB1 Q9H4B7 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGAV P06756 2/20 0.32
PPARG P37231 1/20 0.32
ITGB5 P18084 1/20 0.32
GCK P35557 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL5113619 0.86 GCK (0.40) KDRRAF1BRAFGCK
SCHEMBL5101397 0.85 KDR (0.36) GALR3GAAMAOAMAOBKDR
SCHEMBL5101212 0.83 KDR (0.36) GALR3GAAMAOAMAOBKDR
SCHEMBL5102304 0.83 RIPK1 (0.38) KDRRIPK1
SCHEMBL5107763 0.82 POLB (0.39) GALR3GAARAF1BRAF
SCHEMBL5115425 0.82 HSD17B10 (0.41)
SCHEMBL6375561 0.82 KDR (0.35) GALR3GAAMAOAMAOBKDR
SCHEMBL5105614 0.82 S1PR1 (0.43) KDRITGB3ITGAV
SCHEMBL5108320 0.82 KDR (0.38) KDRLNPEPITGB3ITGAV
SCHEMBL5101380 0.81 KDR (0.39) KDRRAF1BRAFRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241038-A1 Therapeutic agent for Abeta related disorders EISAI CO., LTD. (JP) 2006-10-26 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 (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-20060241038-A1 Therapeutic agent for Abeta related disorders APP, BACE1, PSEN1 GALR3 663/4885GAA 131/4885ROCK1 3006/4885

“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.