SCHEMBL4079416

SCHEMBL4079416

COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)Nc3ccc(F)cc3)cc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.84
ALDH1A1 P00352 11/20 0.84
HSD17B10 Q99714 7/20 0.84
LMNA P02545 1/20 0.84
HPGD P15428 5/20 0.75
NSD2 O96028 1/20 0.71
POLB P06746 1/20 0.71
MAPT P10636 6/20 0.70
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
PKM P14618 1/20 0.66
MPO P05164 1/20 0.62
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
GUSB P08236 1/20 0.56
RAB9A P51151 1/20 0.54
THRB P10828 1/20 0.53

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
SCHEMBL4072881 0.84 MAPT (0.72) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL13496398 0.81 KDM4E (0.77) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL4073889 0.81 KDM4E (0.66) KDM4EALDH1A1HSD17B10LMNANSD2
SCHEMBL5453758 0.80 KDM4E (0.69) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL4069455 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL13664838 0.74 KDM4E (0.70) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL13664590 0.73 KDM4E (0.69) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL13664841 0.73 KDM4E (0.68) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL13664845 0.72 KDM4E (0.66) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL14300067 0.71 GUSB (1.00) KDM4EALDH1A1LMNAHPGDMAPT

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 6 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
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 KDM4E 2403/4885ALDH1A1 1055/4885HSD17B10 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.