SCHEMBL6887211

SCHEMBL6887211

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]2)cc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.47
BACE1 P56817 3/20 0.45
P2RX7 Q99572 1/20 0.45
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 4/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
HSD11B1 P28845 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL6885464 0.86 ROCK2 (0.58) TP53ALDH1A1BACE1NPC1SMN1; SMN2
SCHEMBL14182655 0.83 ALDH1A1 (0.56) TP53ALDH1A1KDM4EHPGDTSHR
SCHEMBL14182721 0.83 ALDH1A1 (0.56) TP53ALDH1A1KDM4EHPGDTSHR
SCHEMBL6887915 0.81 CNR2 (0.46) TP53ALDH1A1KDM4EHPGDTSHR
SCHEMBL6888848 0.81 ALDH1A1 (0.52) TP53ALDH1A1KDM4EHPGDTSHR
SCHEMBL6029877 0.79 TP53 (0.51) TP53ALDH1A1KDM4EBACE1NPC1
SCHEMBL6028677 0.79 TP53 (0.51) TP53ALDH1A1KDM4EBACE1NPC1
SCHEMBL6029245 0.79 TP53 (0.51) TP53ALDH1A1KDM4EBACE1NPC1
SCHEMBL6883718 0.79 EPHX2 (0.48) TP53ALDH1A1KDM4EHPGDTSHR
SCHEMBL6027251 0.79 KMT2A (0.53) TP53KDM4EBACE1NPC1SMN1; SMN2

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 TP53 15/4885ALDH1A1 863/4885KDM4E 543/4885

“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.