SCHEMBL1029914

SCHEMBL1029914

O=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ABL1 P00519 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DYRK1A Q13627 1/20 0.45
▸ MCL1 Q07820 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 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
SCHEMBL17772298 0.90 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2IRAK4TSHR
SCHEMBL1035032 0.86 BRAF (0.52) NPC1RAB9ASMN1; SMN2IRAK4TSHR
SCHEMBL1033832 0.85 IRAK4 (0.47) ABL1SMN1; SMN2IRAK4DYRK1AHDAC1
SCHEMBL1030376 0.84 IRAK4 (0.47) NPC1RAB9AABL1SMN1; SMN2IRAK4
SCHEMBL1033349 0.84 SMN1; SMN2 (0.60) NPC1RAB9AABL1SMN1; SMN2IRAK4
SCHEMBL1034504 0.83 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2IRAK4TSHR
SCHEMBL1029916 0.82 HDAC1 (0.52) ABL1IRAK4TP53DYRK1AHDAC1
SCHEMBL1033932 0.82 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2IRAK4TSHR
SCHEMBL4547972 0.82 NPC1 (0.50) NPC1RAB9AL3MBTL1ABL1SMN1; SMN2
SCHEMBL1032970 0.81 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2TSHRALDH1A1

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 NPC1 3386/4885RAB9A 660/4885L3MBTL1 2547/4885

“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.

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