SCHEMBL1034243

SCHEMBL1034243

FC(F)(F)c1cccc(-c2ccc3cccc(CNC4CCCC4)c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
MAP4K4 O95819 3/20 0.45
KDM1A O60341 2/20 0.42
ALDH1A1 P00352 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CTSS P25774 1/20 0.39
TRPV3 Q8NET8 6/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PIM1 P11309 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
SCHEMBL1034606 0.91 KDM1A (0.48) SCN9AMAP4K4KDM1ACTSSPIM1
SCHEMBL13627227 0.82 CTSS (0.47) KDM1AALDH1A1CTSSTRPV3
SCHEMBL1034161 0.78 CTSS (0.47) KDM1AALDH1A1CTSSTRPV3
SCHEMBL1032552 0.78 CTSS (0.47) KDM1AALDH1A1CTSSTRPV3
SCHEMBL1035236 0.77 MAPT (0.50) MAP4K4KDM1AALDH1A1ITGB3ITGA2B
SCHEMBL1031605 0.76 RXFP1 (0.48) MAP4K4KDM1ACTSSPIM1
SCHEMBL13854087 0.75 CTSS (0.58) KDM1AALDH1A1CTSS
SCHEMBL1035339 0.74 KIF11 (0.47) ALDH1A1TRPV3PIM1
SCHEMBL1033262 0.74 SCN9A (0.48) SCN9AALDH1A1CTSSTRPV3
SCHEMBL1032856 0.71 KDM1A (0.50) KDM1AALDH1A1CTSS

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
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 CN 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 SCN9A 3526/4885MAP4K4 1524/4885KDM1A 1199/4885

“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.