SCHEMBL4071997

SCHEMBL4071997

Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCCN(C)C)c(=O)[nH]c2cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.71
KDM4E B2RXH2 10/20 0.65
LMNA P02545 4/20 0.65
PKM P14618 2/20 0.65
MAPT P10636 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 5/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.55
RAD52 P43351 3/20 0.55
POLB P06746 2/20 0.54
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.52
NSD2 O96028 1/20 0.51
RCE1 Q9Y256 1/20 0.51

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
SCHEMBL4070747 0.87 MPO (0.57) MPOKDM4ELMNAPKMMAPT
SCHEMBL4080549 0.84 KDM4E (0.59) MPOKDM4ELMNAPKMMAPT
SCHEMBL26568017 0.80 KDM4E (0.66) MPOKDM4ELMNAPKMMAPT
SCHEMBL5457696 0.80 RAD52 (0.65) MPOKDM4ELMNAPKMMAPT
SCHEMBL26568771 0.77 ALDH1A1 (0.79) KDM4ELMNAPKMMAPTNPC1
SCHEMBL26116157 0.77 KDM4E (0.75) KDM4ELMNAPKMMAPTNPC1
SCHEMBL26568020 0.76 KDM4E (0.65) MPOKDM4ELMNAPKMMAPT
SCHEMBL26569399 0.74 KDM4E (0.58) MPOKDM4ELMNAPKMMAPT
SCHEMBL4079401 0.73 MPO (0.82) MPOKDM4ELMNAPKMMAPT
SCHEMBL30593620 0.71 ALDH1A1 (0.71) KDM4ELMNAPKMMAPTNPC1

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 MPO 1056/4885KDM4E 2403/4885LMNA 2310/4885

“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.