SCHEMBL1031607

SCHEMBL1031607

O=S(=O)(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ACP1 P24666 1/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ XDH P47989 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL1034663 0.92 SLC40A1 (0.45) SLC40A1ACP1PTGES2XDHIRAK4
SCHEMBL1035231 0.91 SLC40A1 (0.44) SLC40A1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1035477 0.85 SLC40A1 (0.40) SLC40A1KDM4EHPGDPTGES2IRAK4
SCHEMBL27830716 0.85 SLC40A1 (0.40) SLC40A1PTGES2IRAK4CCNT1CDK9
Tert-Butyl Formate SCHEMBL27830718 0.85 SLC40A1 (0.40) SLC40A1PTGES2XDHIRAK4CCNT1
SCHEMBL27830723 0.81 SLC40A1 (0.37) SLC40A1PTGES2IRAK4CCNT1CDK9
SCHEMBL17772304 0.80 KDM4E (0.37) SLC40A1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1034313 0.76 SLC40A1 (0.49) SLC40A1PTGES2DYRK1ACYP11B1CYP11B2
SCHEMBL1074809 0.76 SLC40A1 (0.48) SLC40A1PTGES2XDHDYRK1ASCN9A
SCHEMBL1034673 0.74 PIM1 (0.45) ACP1MAP4K4PIM1FLT3PIM2

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 SLC40A1 2835/4885ALDH1A1 2326/4885KDM4E 1791/4885

“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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