SCHEMBL4074657

SCHEMBL4074657

COc1ccc2cc(CN([C@@H]3CCC[C@H]3O)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
KDM4E B2RXH2 8/20 0.47
HSD17B10 Q99714 6/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX12 P18054 1/20 0.45
KCNA5 P22460 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HKDC1 Q2TB90 1/20 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
SCHEMBL4074658 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4074655 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4069807 0.91 KDM4E (0.44) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL4069803 0.91 KDM4E (0.44) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL4069801 0.91 KDM4E (0.44) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL4073811 0.86 KDM4E (0.48) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4073807 0.86 KDM4E (0.48) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4073815 0.86 KDM4E (0.48) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4069191 0.86 HSD17B10 (0.40) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4072301 0.86 HSD17B10 (0.40) ALDH1A1KDM4EHSD17B10GAAHPGD

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
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP claimed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US claimed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO claimed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG ALDH1A1 1055/4885KDM4E 2403/4885HSD17B10 1580/4885

“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.