SCHEMBL5085649

SCHEMBL5085649

O=c1cc(-c2ccncc2)c2ccc(O)cc2o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.75
CA9 Q16790 10/20 0.75
HSD17B3 P37058 5/20 0.75
AKR1B1 P15121 3/20 0.75
MAOB P27338 2/20 0.75
ALDH2 P05091 1/20 0.75
MAOA P21397 1/20 0.75
SORD Q00796 1/20 0.75
NOD2 Q9HC29 1/20 0.66
LMNA P02545 2/20 0.64
QPCT Q16769 1/20 0.62
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 1/20 0.58
HPGD P15428 2/20 0.55
MCL1 Q07820 2/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL27442679 0.89 CA12 (0.82) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL29736952 0.86 CA9 (1.00) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL2987658 0.86 CA9 (1.00) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL756721 0.85 CA12 (0.72) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL30801089 0.85 CA12 (0.72) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL14424515 0.85 CA12 (0.75) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL21648245 0.83 CA12 (1.00) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL21648244 0.83 CA12 (0.74) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL21648241 0.83 CA12 (1.00) CA12CA9HSD17B3AKR1B1MAOB
SCHEMBL21648248 0.83 CA12 (0.74) CA12CA9HSD17B3AKR1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 CA12 4180/4885CA9 2021/4885HSD17B3 339/4885

“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.