SCHEMBL4070776

SCHEMBL4070776

Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.71
HSD17B10 Q99714 12/20 0.71
KDM4E B2RXH2 9/20 0.71
MAPK1 P28482 3/20 0.71
HTT P42858 3/20 0.71
LMNA P02545 4/20 0.63
MAPT P10636 4/20 0.63
USP2 O75604 4/20 0.55
HPGD P15428 6/20 0.53
NPSR1 Q6W5P4 4/20 0.53
TSHR P16473 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX12 P18054 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
GAA P10253 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 2/20 0.46
TAS2R14 Q9NYV8 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
SCHEMBL4078724 0.89 ALDH1A1 (0.57) ALDH1A1HSD17B10KDM4EMAPK1HTT
SCHEMBL5459170 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10KDM4EMAPK1HTT
SCHEMBL4078012 0.81 ALDH1A1 (0.73) ALDH1A1HSD17B10KDM4EMAPK1HTT
SCHEMBL4074172 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10KDM4EMAPK1HTT
SCHEMBL5464839 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10KDM4EMAPK1HTT
SCHEMBL5455222 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10KDM4EMAPK1HTT
SCHEMBL4251806 0.78 KDM4E (0.59) ALDH1A1HSD17B10KDM4EMAPK1HTT
SCHEMBL5448947 0.76 KDM4E (0.66) ALDH1A1HSD17B10KDM4EHTTLMNA
SCHEMBL4073672 0.76 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EHTTLMNA
SCHEMBL4070699 0.76 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHTTLMNA

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 1055/4885HSD17B10 1580/4885KDM4E 2403/4885

“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.