SCHEMBL5754238

SCHEMBL5754238

COc1ccc2nccc([C@@H](O)CN3CCN(CC4CO4)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
SLC2A1 P11166 8/20 0.56
CYP2D6 P10635 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47
THRB P10828 1/20 0.44

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
SCHEMBL6983819 1.00 KCNH2 (0.57) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL6988402 0.85 CYP2D6 (0.44) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL13356412 0.84 SLC2A1 (0.59) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL13356470 0.84 SLC2A1 (0.59) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL5253301 0.84 KCNH2 (0.61) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL5253304 0.84 KCNH2 (0.61) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL5754730 0.82 SLC2A1 (0.56) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL4269291 0.82 SLC2A1 (0.63) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL5256391 0.82 SLC2A1 (0.63) KCNH2SLC2A1CYP2D6KDM4EALDH1A1
SCHEMBL5256396 0.82 SLC2A1 (0.63) KCNH2SLC2A1CYP2D6KDM4EALDH1A1

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
EP-1343765-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-22 EP disclosed
US-20040077656-A1 Quinolines and nitrogenated derivatives thereof substituted in 4-position by a piperazine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 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-20040077656-A1 Quinolines and nitrogenated derivatives thereof substituted in 4-position by a piperazine-containing moiety and their use as antibacterial agents NQO2, ASNS, QARS1 KCNH2 1467/4885SLC2A1 3955/4885CYP2D6 525/4885

“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.