SCHEMBL1029916

SCHEMBL1029916

O=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
IGF2BP2 Q9Y6M1 1/20 0.51
KDR P35968 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
ABL1 P00519 3/20 0.47
SIRT2 Q8IXJ6 2/20 0.44
MPL P40238 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
KAT6A Q92794 1/20 0.44
TEK Q02763 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
DHODH Q02127 2/20 0.43
DYRK1A Q13627 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
SCHEMBL1035541 0.94 KAT6A (0.48) HDAC1IGF2BP2KDRABL1SIRT2
SCHEMBL1076614 0.92 HDAC1 (0.51) HDAC1IGF2BP2IRAK4ABL1MPL
SCHEMBL1033271 0.91 ABL1 (0.47) HDAC1IRAK4ABL1SIRT2TP53
SCHEMBL1035313 0.87 IRAK4 (0.47) HDAC1IGF2BP2IRAK4TP53DHODH
SCHEMBL1030376 0.84 IRAK4 (0.47) HDAC1IRAK4ABL1DHODH
SCHEMBL1029914 0.82 NPC1 (0.52) HDAC1IRAK4ABL1MPLTP53
SCHEMBL1033832 0.82 IRAK4 (0.47) HDAC1IRAK4ABL1MPLDHODH
SCHEMBL1035542 0.81 EGFR (0.52) KDRSIRT2
SCHEMBL1033187 0.81 ABL1 (0.47) IRAK4ABL1DHODH
SCHEMBL29911228 0.80 TP53 (0.67) TP53POLBKAT6A

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 HDAC1 87/4885IGF2BP2 4334/4885KDR 1845/4885

“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.