SCHEMBL4081485

SCHEMBL4081485

Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCCCN3CCOCC3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 9/20 0.57
PKM P14618 1/20 0.57
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GUSB P08236 3/20 0.53
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 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
SCHEMBL4078243 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPSR1KDM4EPKM
SCHEMBL4078096 0.80 ALDH1A1 (0.64) ALDH1A1NPSR1KDM4EPKMLMNA
SCHEMBL4074546 0.76 KDM4E (0.64) ALDH1A1SMN1; SMN2KDM4EPKMLMNA
SCHEMBL4073868 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPSR1KDM4EPKM
SCHEMBL4080549 0.71 KDM4E (0.59) ALDH1A1SMN1; SMN2NPSR1KDM4EPKM
SCHEMBL4256228 0.70 POLB (0.69) ALDH1A1SMN1; SMN2NPSR1KDM4ELMNA
SCHEMBL4071636 0.70 KDM4E (0.71) ALDH1A1NPSR1KDM4EPKMLMNA
SCHEMBL4074189 0.69 HSD17B10 (0.62) ALDH1A1SMN1; SMN2NPSR1KDM4EPKM
SCHEMBL5456271 0.68 POLB (0.77) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL13496397 0.68 GUSB (0.80) ALDH1A1SMN1; SMN2NPSR1KDM4EPKM

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

“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.