SCHEMBL5451616

SCHEMBL5451616

Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)CC3CCCCC3)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.68
KDM4E B2RXH2 11/20 0.68
HSD17B10 Q99714 9/20 0.68
TSHR P16473 9/20 0.68
NPSR1 Q6W5P4 8/20 0.68
ALOX15 P16050 5/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
HTT P42858 4/20 0.68
CASP1 P29466 3/20 0.68
USP2 O75604 6/20 0.56
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.53
PKM P14618 2/20 0.47
GUSB P08236 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5464839 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL4069208 0.83 KDM4E (0.60) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL5455222 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL4077969 0.82 KDM4E (0.61) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL5463453 0.80 KDM4E (0.59) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL5459170 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL4079782 0.78 KDM4E (0.56) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL4073672 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL5448947 0.78 KDM4E (0.66) ALDH1A1KDM4EHSD17B10TSHRNPSR1
SCHEMBL4070699 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10TSHRNPSR1

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 1 patent. 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

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 1055/4885KDM4E 2403/4885HSD17B10 1580/4885

“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.