SCHEMBL13850474

SCHEMBL13850474

Cc1cc2cc3c(cc2[nH]c1=O)OCO3

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.51
KDM4E B2RXH2 8/20 0.51
HPGD P15428 7/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 7/20 0.48
GAA P10253 4/20 0.48
HSD17B10 Q99714 3/20 0.48
USP2 O75604 3/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
BRD4 O60885 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
AKR1B1 P15121 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7493903 0.78 CA2 (0.53) CA2KDM4EHPGDKMT2AMEN1
SCHEMBL7786492 0.77 GRIN2D (0.48) CA2KDM4EHPGDKMT2AMEN1
SCHEMBL2558670 0.77 CA2 (0.49) CA2KDM4EHPGDKMT2AMEN1
SCHEMBL10102730 0.75 CHEK2 (0.44) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13849673 0.74 KDM4E (0.52) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL10704493 0.74 CA2 (0.49) CA2KDM4EHPGDKMT2AMEN1
SCHEMBL6190850 0.73 FYN (0.44) CA2KDM4EHPGDKMT2AMEN1
SCHEMBL8980508 0.71 AKR1B1 (0.51) CA2KDM4EHPGDKMT2AMEN1
SCHEMBL10102698 0.71 KDM4E (0.37) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL28531473 0.71 GRIN2D (0.57) KDM4EHPGDKMT2AMEN1ALDH1A1

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-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-21 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-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE SCN1B, OPRL1, SCN1A CA2 3224/4885KDM4E 2702/4885HPGD 933/4885

“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.