SCHEMBL6887915

SCHEMBL6887915

O=C(Nc1ccc(-c2ncc(-c3ccc(NC45CC6CC(CC(C6)C4)C5)cc3)[nH]2)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
EPHX2 P34913 2/20 0.42
ALOX5 P09917 1/20 0.42
STS P08842 1/20 0.42
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ENPP3 O14638 2/20 0.40
ENPP1 P22413 2/20 0.40

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
SCHEMBL6027254 0.90 ALDH1A1 (0.47) CNR2SMN1; SMN2TSHRNPSR1CA9
SCHEMBL6887918 0.88 SCN2A (0.45)
SCHEMBL6888848 0.84 ALDH1A1 (0.52) CNR2SMN1; SMN2TSHRNPSR1CA9
SCHEMBL6026686 0.84 PTPN1 (0.48) SMN1; SMN2TSHRALDH1A1KDM4ETP53
SCHEMBL6027057 0.84 ALDH1A1 (0.48) SMN1; SMN2TSHRNPSR1ALDH1A1KDM4E
SCHEMBL6027187 0.84 PTPN1 (0.48) SMN1; SMN2TSHRALDH1A1KDM4ETP53
SCHEMBL6027331 0.82 GSK3B (0.39) EPHX2NPC1RAB9A
SCHEMBL6026607 0.82 GSK3B (0.39) EPHX2NPC1RAB9A
SCHEMBL6887211 0.81 TP53 (0.52) SMN1; SMN2TSHRALDH1A1KDM4ETP53
SCHEMBL6883718 0.81 EPHX2 (0.48) CNR2SMN1; SMN2TSHRNPSR1CA9

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
CN-1826111-A Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS (US) 2006-08-30 CN disclosed
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 CNR2 2298/4885SMN1; SMN2 3623/4885TSHR 4206/4885

“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.