SCHEMBL4070874

SCHEMBL4070874

COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCc3ccccc3)cc2c1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.83
ALDH1A1 P00352 15/20 0.83
HPGD P15428 7/20 0.83
HSD17B10 Q99714 7/20 0.70
HTT P42858 4/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
TSHR P16473 1/20 0.63
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GUSB P08236 2/20 0.58
USP2 O75604 1/20 0.58

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
SCHEMBL4073771 0.91 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL4075829 0.91 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL4075849 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL4072881 0.83 MAPT (0.72) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL5454337 0.78 ALDH1A1 (0.80) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL24852632 0.74 MAPT (0.67) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL30162737 0.74 MAPT (0.67) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL9293461 0.73 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL14300067 0.73 GUSB (1.00) KDM4EALDH1A1HPGDHTTCYP1A2
SCHEMBL5445669 0.72 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10HTT

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 KDM4E 2403/4885ALDH1A1 1055/4885HPGD 354/4885

“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.