SCHEMBL6887912

SCHEMBL6887912

O=C(Nc1ccc(-c2ncc(-c3ccccc3NC3C4CC5CC(C4)CC3C5)[nH]2)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CNR2 P34972 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
CA9 Q16790 2/20 0.39
ENPP3 O14638 1/20 0.39
CA2 P00918 1/20 0.39
ENPP1 P22413 1/20 0.39
ENPP2 Q13822 1/20 0.39
CA12 O43570 1/20 0.39
NPC1 O15118 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6027185 0.83 PTPN1 (0.44) KMT2ABRD4ALDH1A1KDM4ETP53
SCHEMBL6026610 0.82 BRD4 (0.44) MEN1KMT2ABRD4ALDH1A1SMN1; SMN2
SCHEMBL6027150 0.80 BRD4 (0.43) MEN1KMT2ABRD4ALDH1A1KDM4E
SCHEMBL5621232 0.79 ALDH1A1 (0.45) NPSR1MEN1KMT2ABRD4ALDH1A1
SCHEMBL6888848 0.77 ALDH1A1 (0.52) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6026685 0.76 PTPN1 (0.44) KMT2ABRD4ALDH1A1KDM4ETP53
SCHEMBL6887915 0.76 CNR2 (0.46) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6027333 0.75 BRD4 (0.42) MEN1KMT2ABRD4ALDH1A1SMN1; SMN2
SCHEMBL6027254 0.73 ALDH1A1 (0.47) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6887211 0.73 TP53 (0.52) MEN1KMT2AALDH1A1KDM4ETP53

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 NPSR1 4228/4885MEN1 2429/4885KMT2A 361/4885

“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.