SCHEMBL1032169

SCHEMBL1032169

O=C(Nc1ccc(CN2CCCC2)nc1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MCHR1 Q99705 4/20 0.41
HTR2C P28335 3/20 0.41
BRAF P15056 2/20 0.41
TRPV4 Q9HBA0 1/20 0.41
CHRM4 P08173 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
DHODH Q02127 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KCNH2 Q12809 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL1034431 0.93 HIF1A (0.54) HIF1AEPAS1RXFP1TRPV4
SCHEMBL1033470 0.87 MCHR1 (0.41) HIF1AEPAS1MCHR1HTR2C
SCHEMBL1035601 0.86 FGFR4 (0.41) MEN1KMT2ARXFP1TRPV4CHRM4
SCHEMBL1031261 0.84 FGFR4 (0.49) HIF1AEPAS1MCHR1BRAFFGFR4
SCHEMBL1031635 0.84 ITGB3 (0.43) TRPV4ITGB3ITGA2B
SCHEMBL13187576 0.84 HIF1A (0.44) HIF1AEPAS1MCHR1HTR2CBRAF
SCHEMBL1035299 0.83 SMN1; SMN2 (0.43) MEN1KMT2AITGB3ITGA2B
SCHEMBL1052702 0.82 KCNQ3 (0.60) RXFP1BRAFEGLN1DHODHCA12
SCHEMBL1076689 0.81 FGFR3 (0.47) HIF1AEPAS1MEN1KMT2AMCHR1
SCHEMBL13187530 0.79 HIF1A (0.43) HIF1AEPAS1MCHR1HTR2CBRAF

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 8 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
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
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US 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
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 HIF1A 866/4885EPAS1 520/4885MEN1 2841/4885

“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.