SCHEMBL1034003

SCHEMBL1034003

O=C(O)c1c(F)ccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.55
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV3 Q8NET8 1/20 0.45
XDH P47989 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIN1 Q13526 1/20 0.44
CFTR P13569 2/20 0.44
CTSS P25774 1/20 0.44
IL2 P60568 1/20 0.43
RORB Q92753 2/20 0.43
ADAM17 P78536 1/20 0.42
CTSK P43235 1/20 0.42
KDM1A O60341 1/20 0.42
DHODH Q02127 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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 0.82 KMO (0.57) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL13854087 0.81 CTSS (0.58) KMOALDH1A1KDM4EXDHCTSS
SCHEMBL1034057 0.81 KMO (0.53) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL1032240 0.80 KMO (0.55) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL1030619 0.78 SIRT2 (0.47) KMOMEN1KMT2AIL2
SCHEMBL13627398 0.76 PARP1 (0.67) KMOKDM4EXDHCTSSKDM1A
SCHEMBL14152109 0.74 KMO (0.66) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL1032856 0.73 KDM1A (0.50) KMOALDH1A1KDM4EXDHCTSS
SCHEMBL1034065 0.73 RXFP1 (0.53) MEN1KMT2A
SCHEMBL1085376 0.73 XDH (0.56) 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.