SCHEMBL6888848

SCHEMBL6888848

O=C(Nc1ccc(-c2ncc(-c3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)[nH]2)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
CNR2 P34972 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 2/20 0.43
GRM2 Q14416 1/20 0.42
EPHX2 P34913 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL6888182 0.95 ALDH1A1 (0.52) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6027254 0.93 ALDH1A1 (0.47) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6027057 0.89 ALDH1A1 (0.48) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL13663138 0.85 SMN1; SMN2 (0.51) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6887915 0.84 CNR2 (0.46) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6887211 0.81 TP53 (0.52) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6883718 0.78 EPHX2 (0.48) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6887912 0.77 NPSR1 (0.45) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL14439795 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6027212 0.74 KDR (0.55) SMN1; SMN2NPC1

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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 ALDH1A1 863/4885KDM4E 543/4885TP53 15/4885

“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.