SCHEMBL8980508

SCHEMBL8980508

O=c1ccc2cc3c(cc2[nH]1)OCO3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.51
CA2 P00918 1/20 0.50
MAPK1 P28482 3/20 0.49
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
F11 P03951 1/20 0.46
HCAR1 Q9BXC0 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
NQO2 P16083 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL13849653 0.89 KDM4E (0.50) AKR1B1CA2MAPK1CA12CA9
SCHEMBL13849661 0.86 MAPK1 (0.46) AKR1B1CA2MAPK1CA12CA9
SCHEMBL4551692 0.83 PDE10A (0.49) CA2CA12CA9HCAR1KDM4E
SCHEMBL4554406 0.80 PDE10A (0.47) CA2CA12CA9CA1CA3
SCHEMBL29433749 0.79 MAPK1 (0.50) AKR1B1MAPK1CA12CA9CA1
SCHEMBL14841959 0.78 ALDH1A1 (0.47) AKR1B1CA2ALDH1A1MEN1KMT2A
SCHEMBL17951770 0.75 MAPK1 (0.68) MAPK1CA12CA9CA1CA3
SCHEMBL10704493 0.73 CA2 (0.49) AKR1B1CA2HCAR1KDM4EMEN1
SCHEMBL13850474 0.71 CA2 (0.51) AKR1B1CA2KDM4EALDH1A1LMNA
SCHEMBL7786492 0.71 GRIN2D (0.48) CA2KDM4EALDH1A1LMNAMEN1

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 5 patents. 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
US-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1908752-A1 NOVEL 2-QUINOLONE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-04-09 EP disclosed
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 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-20090131412-A1 NOVEL 2-QUINOLONE DERIVATIVE SCN1B, OPRL1, SCN1A AKR1B1 2557/4885CA2 3224/4885MAPK1 253/4885

“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.