SCHEMBL4078243

SCHEMBL4078243

Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCCN3CCOCC3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KDM4E B2RXH2 14/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL4256228 0.85 POLB (0.69) ALDH1A1SMN1; SMN2NPSR1KDM4ELMNA
SCHEMBL4081485 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1KDM4ETDP1
SCHEMBL4079794 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1KDM4ELMNA
SCHEMBL4069321 0.80 KDM4E (0.53) ALDH1A1SMN1; SMN2NPSR1KDM4ETDP1
SCHEMBL4073864 0.78 KDM4E (0.55) ALDH1A1SMN1; SMN2NPSR1KDM4ETDP1
SCHEMBL4079586 0.78 KDM4E (0.51) ALDH1A1SMN1; SMN2NPSR1KDM4ELMNA
SCHEMBL4080208 0.78 KDM4E (0.56) ALDH1A1SMN1; SMN2NPSR1KDM4ETDP1
SCHEMBL5456265 0.77 POLB (0.59) ALDH1A1SMN1; SMN2NPSR1KDM4ELMNA
SCHEMBL4073868 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPSR1KDM4ETDP1
SCHEMBL5448947 0.77 KDM4E (0.66) ALDH1A1NPSR1KDM4ETDP1LMNA

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
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
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US 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.