SCHEMBL6866210

SCHEMBL6866210

COc1ccc2nccc([C@@H](O)CN3CCN(CCCCCCCO)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.53
KCNH2 Q12809 2/20 0.53
CYP2D6 P10635 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRM1 P35372 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CCR8 P51685 1/20 0.43
THRB P10828 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
SCHEMBL6648662 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL6498401 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL6645394 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL6497372 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL6648669 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL6498397 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL6645390 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL6645387 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
SCHEMBL6498402 0.92 SLC2A1 (0.60) SLC2A1KCNH2CYP2D6KDM4EALDH1A1
Oxalic Acid SCHEMBL6486309 0.88 SLC2A1 (0.60) SLC2A1KCNH2CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803369-B1 INHIBIT A BIOLOGICAL ACTIVITY OF A TOPOISOMERASE ENZYMES SMITHKLINE BEECHAM CORPORATION 2004-10-12 US claimed
US-20030203917-A1 Compounds and methods for the treatment of neoplastic disease SMITHKLINE BEECHAM CORPORATION AND SMITHKLINE BEECHAM P.L.C. 2003-10-30 US claimed
US-6803369-B1 INHIBIT A BIOLOGICAL ACTIVITY OF A TOPOISOMERASE ENZYMES SMITHKLINE BEECHAM CORPORATION 2004-10-12 US disclosed
US-20030203917-A1 Compounds and methods for the treatment of neoplastic disease SMITHKLINE BEECHAM CORPORATION AND SMITHKLINE BEECHAM P.L.C. 2003-10-30 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-20030203917-A1 Compounds and methods for the treatment of neoplastic disease TOP1, TOP2A, TOP2B SLC2A1 3716/4885KCNH2 4586/4885CYP2D6 2396/4885

“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.