SCHEMBL1033705

SCHEMBL1033705

Cc1cncc(-c2ccc3cccc(C(=O)O)c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.51
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMO O15229 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ ALOX12 P18054 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ XDH P47989 2/20 0.38
▸ SLC22A12 Q96S37 2/20 0.38
▸ LDHA P00338 1/20 0.38
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL1033354 0.80 PARP1 (0.60) PARP1LMNAKDM4EHTTKMO
SCHEMBL1033211 0.79 PARP1 (0.77) PARP1LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3151445 0.79 PARP1 (0.61) PARP1LMNAKDM4EHTTALDH1A1
SCHEMBL27945291 0.78 PARP1 (0.74) PARP1LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1033599 0.77 PARP1 (0.50) PARP1LMNAKDM4EHTTKMO
SCHEMBL1036343 0.77 HPGD (0.48) LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL28609706 0.75 PARP1 (0.57) PARP1LMNAKDM4EHTTKMO
SCHEMBL3423404 0.74 CYP11B1 (0.49) KDM4EKMOALDH1A1
SCHEMBL1035479 0.73 PARP1 (0.45) PARP1LMNAKDM4EALDH1A1
SCHEMBL5319765 0.73 PARP1 (0.72) PARP1KDM4EALDH1A1ALOX12

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 9 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
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 — — CN 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 PARP1 183/4885LMNA 3200/4885KDM4E 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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