SCHEMBL1034057

SCHEMBL1034057

O=C(O)c1ccc(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKA O14965 1/20 0.45
CFTR P13569 2/20 0.44
DHODH Q02127 1/20 0.44
TRPV3 Q8NET8 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
XDH P47989 1/20 0.43
PIN1 Q13526 1/20 0.43
CTSS P25774 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL1035363 0.83 KMO (0.57) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL1032240 0.81 KMO (0.55) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL1034003 0.81 KMO (0.55) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL1033582 0.80 CSF1R (0.51) MEN1KMT2ASMN1; SMN2
SCHEMBL1033886 0.79 LMNA (0.47) KMOALDH1A1MEN1KMT2A
SCHEMBL28777910 0.79 KMO (0.59) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL14931879 0.76 KMO (0.55) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL1033372 0.75 PARP1 (0.62) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL9788759 0.74 KMO (0.48) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL2135018 0.74 RXRA (0.54) KMOALDH1A1KDM4EMEN1KMT2A

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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 KMO 256/4885ALDH1A1 2326/4885KDM4E 1791/4885

“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.