SCHEMBL1035236

SCHEMBL1035236

O=C(NC1CCCC1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 1/20 0.47
MAP4K4 O95819 2/20 0.46
GAA P10253 1/20 0.46
DRD4 P21917 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1034071 0.91 CNR2 (0.49) MAPTLMNAPOLBMAP4K4DRD4
SCHEMBL1032826 0.91 POLB (0.45) MAPTLMNAPOLBMAP4K4DRD4
SCHEMBL1033395 0.87 HDAC4 (0.46) POLBMAP4K4DRD4MEN1KMT2A
SCHEMBL1033396 0.87 HDAC4 (0.46) POLBMAP4K4DRD4MEN1KMT2A
SCHEMBL13626995 0.84 DRD4 (0.47) MAPTALDH1A1EPHX2MAP4K4DRD4
SCHEMBL12880950 0.84 PARP1 (0.50) MAPTPOLBALDH1A1DRD4SMN1; SMN2
SCHEMBL1034785 0.83 SCN7A (0.42) MAP4K4DRD4CNR2KDM1AKMO
SCHEMBL17772313 0.82 DRD4 (0.46) MAPTALDH1A1EPHX2MAP4K4DRD4
SCHEMBL1032402 0.82 CHRNA7 (0.52)
SCHEMBL1034065 0.80 RXFP1 (0.53) MAPTLMNAMEN1KMT2AMAOB

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 MAPT 903/4885LMNA 3200/4885POLB 986/4885

“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.