SCHEMBL1033373

SCHEMBL1033373

O=C(Nc1cccc2ccc(-c3ccc(F)c(C(F)(F)F)c3)nc12)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.57
KMO O15229 2/20 0.47
SUCNR1 Q9BXA5 9/20 0.45
SCN5A Q14524 2/20 0.45
SCN9A Q15858 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 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
SCHEMBL1032970 0.90 SMN1; SMN2 (0.48) GRM4KMOSUCNR1SCN5ASCN9A
SCHEMBL1036195 0.88 KMO (0.42) GRM4KMOSUCNR1MEN1KMT2A
SCHEMBL1034612 0.87 KDR (0.48) KMOSUCNR1SCN5ASCN9AMEN1
SCHEMBL1035371 0.85 RAB9A (0.46) KMOSUCNR1SCN5ASCN9AKMT2A
SCHEMBL1034304 0.82 TLR7 (0.46) GRM4SCN5ASCN9AMEN1KMT2A
SCHEMBL1035032 0.74 BRAF (0.52) KMOSCN5ASCN9AMEN1KMT2A
SCHEMBL1035042 0.72 TLR7 (0.43) KMOMEN1KMT2AHDAC1
SCHEMBL1034141 0.72 SMN1; SMN2 (0.48) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL1031894 0.72 MAPT (0.41) KMOMEN1KMT2AHDAC1HDAC6
SCHEMBL4404120 0.72 KDR (0.73) MEN1KMT2AHDAC3HDAC4HDAC1

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 GRM4 3605/4885KMO 256/4885SUCNR1 661/4885

“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.