SCHEMBL1034326

SCHEMBL1034326

Cc1cc(-c2ccc3cccc(C(=O)Nc4ccccn4)c3n2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.58
▸ NPC1 O15118 7/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL1035323 0.88 KDM4E (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1032904 0.82 HPGD (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1034838 0.80 HSD17B10 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1035479 0.78 PARP1 (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1031026 0.77 ATR (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29863092 0.75 MEN1 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1033871 0.74 FGFR4 (0.51) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL1033965 0.74 CHRNB2 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1031023 0.74 FGFR4 (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1035391 0.73 MAPK1 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 RAB9A 660/4885NPC1 3386/4885SMN1; SMN2 2735/4885

“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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