SCHEMBL1032582

SCHEMBL1032582

O=C(O)c1cccc2ccc(-c3ccnc(Cl)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.50
▸ KMO O15229 7/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ PLEC Q15149 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IDO1 P14902 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
SCHEMBL1033599 0.84 PARP1 (0.50) PARP1KMOALDH1A1LMNAALOX12
SCHEMBL1033122 0.81 PARP1 (0.47) PARP1KMOALDH1A1LMNAALOX12
SCHEMBL3151445 0.80 PARP1 (0.61) PARP1ALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL1034198 0.79 NPC1 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1033211 0.78 PARP1 (0.77) PARP1ALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL27945291 0.77 PARP1 (0.74) PARP1ALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL1033354 0.76 PARP1 (0.60) PARP1KMOALDH1A1LMNAALOX12
SCHEMBL1032809 0.75 SLC40A1 (0.49) PARP1ALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL2569038 0.74 DHODH (0.62) PARP1
SCHEMBL1032405 0.74 PARP1 (0.53) PARP1KMOALDH1A1LMNA

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 183/4885KMO 256/4885ALDH1A1 2326/4885

“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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