SCHEMBL4069170

SCHEMBL4069170

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.40
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 1/20 0.39
PDE10A Q9Y233 1/20 0.38
LMNA P02545 4/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 2/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
CNR2 P34972 3/20 0.35
KDM5B Q9UGL1 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL4071989 0.90 ALDH1A1 (0.43) GHSRHSD17B10ALDH1A1KDM4EGAA
SCHEMBL4075260 0.85 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EGAALMNA
SCHEMBL4072879 0.84 ALDH1A1 (0.50) HSD17B10ALDH1A1KDM4EGAALMNA
SCHEMBL4075936 0.84 KDM4E (0.55) HSD17B10ALDH1A1KDM4EGAALMNA
SCHEMBL5455857 0.84 ALDH1A1 (0.45) HSD17B10ALDH1A1KDM4EGAALMNA
SCHEMBL4069194 0.83 HSD17B10 (0.40) GHSRHSD17B10ALDH1A1KDM4EGAA
SCHEMBL4069191 0.83 HSD17B10 (0.40) GHSRHSD17B10ALDH1A1KDM4EGAA
SCHEMBL4072301 0.83 HSD17B10 (0.40) GHSRHSD17B10ALDH1A1KDM4EGAA
SCHEMBL4074128 0.83 ALDH1A1 (0.45) HSD17B10ALDH1A1KDM4EGAALMNA
SCHEMBL4071107 0.83 ALDH1A1 (0.45) HSD17B10ALDH1A1KDM4EGAALMNA

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 GHSR 4668/4885HSD17B10 1580/4885ALDH1A1 1055/4885

“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.