SCHEMBL4301022

SCHEMBL4301022

O=C(O)NC[C@H]1CNC[C@H]1O.O=Cc1ccc2ccc(=O)oc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.35
CA12 O43570 7/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 3/20 0.35
KMT2A Q03164 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
AKR1B1 P15121 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MCL1 Q07820 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
DRD4 P21917 2/20 0.34
MTNR1A P48039 2/20 0.34
CA2 P00918 2/20 0.33

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
SCHEMBL4294400 0.80
SCHEMBL4297805 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AGAA
SCHEMBL4303055 0.74 HDAC1 (0.34)
SCHEMBL4303212 0.73 SMYD3 (0.41) ALDH1A1
SCHEMBL29955511 0.73 CA12 (0.55) CA9CA12KDM4EALDH1A1CA1
SCHEMBL1163297 0.73 CA12 (0.55) CA9CA12KDM4EALDH1A1CA1
SCHEMBL3278572 0.71 GBA1 (0.43) GLAGAA
SCHEMBL3278567 0.71 GBA1 (0.43) GLAGAA
SCHEMBL3233892 0.71 GBA1 (0.43) GLAGAA
SCHEMBL3279547 0.71 GBA1 (0.43) GLAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ CA9 4706/4885CA12 4840/4885KDM4E 2078/4885

“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.