SCHEMBL4073868

SCHEMBL4073868

COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=S)NCCCN2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
KDM4E B2RXH2 7/20 0.58
PKM P14618 2/20 0.58
HSD17B10 Q99714 3/20 0.57
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 2/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MPO P05164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
GUSB P08236 1/20 0.45

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
SCHEMBL4075241 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EPKMHSD17B10LMNA
SCHEMBL4078096 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EPKMHSD17B10LMNA
SCHEMBL4078243 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EPKMHSD17B10LMNA
SCHEMBL4080549 0.77 KDM4E (0.59) ALDH1A1KDM4EPKMHSD17B10LMNA
SCHEMBL4074148 0.75 ALDH1A1 (0.57) ALDH1A1KDM4EPKMHSD17B10LMNA
SCHEMBL21637789 0.75 HSD17B10 (0.57) ALDH1A1KDM4EHSD17B10NPSR1TSHR
SCHEMBL4074189 0.74 HSD17B10 (0.62) ALDH1A1KDM4EPKMHSD17B10LMNA
SCHEMBL4081485 0.73 ALDH1A1 (0.57) ALDH1A1KDM4EPKMHSD17B10LMNA
SCHEMBL8606564 0.72 MEN1 (0.82) ALDH1A1KDM4EPKMLMNATDP1
Hydrochloric Acid SCHEMBL9093612 0.71 MEN1 (0.80) ALDH1A1KDM4EPKMLMNATDP1

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 ALDH1A1 1055/4885KDM4E 2403/4885PKM 2595/4885

“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.