SCHEMBL4072301

SCHEMBL4072301

COc1ccc2cc(CN(C3CCCC3O)S(=O)(=O)c3ccc4c(c3)OCCN4C)c(=O)[nH]c2c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.40
KDM4E B2RXH2 5/20 0.39
GHSR Q92847 1/20 0.38
ALDH1A1 P00352 8/20 0.37
MAPK1 P28482 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.36
KCNA5 P22460 1/20 0.36
EP300 Q09472 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
PDE10A Q9Y233 1/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL4069191 1.00 HSD17B10 (0.40) HSD17B10KDM4EGHSRALDH1A1MAPK1
SCHEMBL4069194 1.00 HSD17B10 (0.40) HSD17B10KDM4EGHSRALDH1A1MAPK1
SCHEMBL4073853 0.91 ALDH1A1 (0.39) HSD17B10KDM4EGHSRALDH1A1MAPK1
SCHEMBL4073855 0.91 ALDH1A1 (0.39) HSD17B10KDM4EGHSRALDH1A1MAPK1
SCHEMBL4073849 0.91 ALDH1A1 (0.39) HSD17B10KDM4EGHSRALDH1A1MAPK1
SCHEMBL4078111 0.87 HSD17B10 (0.53) HSD17B10KDM4EALDH1A1MAPK1HTT
SCHEMBL4079614 0.87 HSD17B10 (0.53) HSD17B10KDM4EALDH1A1MAPK1HTT
SCHEMBL4078115 0.87 HSD17B10 (0.53) HSD17B10KDM4EALDH1A1MAPK1HTT
SCHEMBL4079618 0.87 HSD17B10 (0.53) HSD17B10KDM4EALDH1A1MAPK1HTT
SCHEMBL4075786 0.87 HSD17B10 (0.53) HSD17B10KDM4EALDH1A1MAPK1HTT

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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US claimed
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP disclosed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US disclosed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO 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 HSD17B10 1580/4885KDM4E 2403/4885GHSR 4668/4885

“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.