SCHEMBL4079794

SCHEMBL4079794

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 9/20 0.53
POLB P06746 4/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 3/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 5/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALOX15 P16050 2/20 0.51
CASP1 P29466 1/20 0.51
HTT P42858 1/20 0.51
GUSB P08236 5/20 0.50
PKM P14618 1/20 0.49
ALOX12 P18054 1/20 0.49
FYN P06241 1/20 0.48

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
SCHEMBL4069321 0.93 KDM4E (0.53) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL5456265 0.92 POLB (0.59) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL4073864 0.92 KDM4E (0.55) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL4079586 0.91 KDM4E (0.51) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL4080208 0.90 KDM4E (0.56) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL4074168 0.89 KDM4E (0.49) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL4077411 0.87 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL4077438 0.87 KDM4E (0.54) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL4072295 0.86 KDM4E (0.55) ALDH1A1NPSR1KDM4EPOLBMAPT
SCHEMBL4070133 0.85 KDM4E (0.55) ALDH1A1NPSR1KDM4EPOLBMAPT

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 ALDH1A1 1055/4885NPSR1 4425/4885SMN1; SMN2 4654/4885

“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.