SCHEMBL3020581

SCHEMBL3020581

O=C(O)Cc1cc(=O)c2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 4/20 0.58
GAA P10253 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP1A2 P05177 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GLA P06280 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
AHR P35869 1/20 0.58
CHRNA7 P36544 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58

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
SCHEMBL3943238 0.85 KDM4E (0.55) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL31457901 0.81 CTSV (0.58) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1162107 0.81 CTSV (0.58) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL19211138 0.80 KDM4E (0.54) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL3935995 0.79 KDM4E (0.57) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL19211147 0.77 CTSV (0.58) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1161271 0.77 CTSV (0.58) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL49270 0.77 LOXL2 (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL31716577 0.77 CTSV (0.58) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4764681 0.77 CTSV (0.67) KDM4EALDH1A1GAAHPGDHSD17B10

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
US-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDACAO UNIVERSIDADE FEDERAL DE SAO CARLOS (BR) 2010-08-05 US disclosed
EP-2167468-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF Fundação Universidade Federal De São Carlos (BR) 2010-03-31 EP disclosed
WO-2008144865-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDAÇÃO UNIVERSIDADE FEDERAL DE SÃO CARLOS (BR) 2008-12-04 WO disclosed
CN-1414951-A Drug discharge pump inhibitor FUNDAMENTAL THERAPEUTICAL INC (US) 2003-04-30 CN 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-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF PF4, KCNQ1, KCNQ2 KDM4E 599/4885ALDH1A1 2185/4885GAA 1634/4885

“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.