SCHEMBL1035323

SCHEMBL1035323

Cc1cc(-c2ccc3cccc(C(=O)Nc4ccncn4)c3n2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ TSHR P16473 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ USP2 O75604 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ GAA P10253 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL1034326 0.88 RAB9A (0.58) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL1034838 0.81 HSD17B10 (0.58) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL1032904 0.80 HPGD (0.49) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL1036245 0.79 ATR (0.58) ALDH1A1POLBLMNACHRNB2CHRNB4
SCHEMBL1035479 0.77 PARP1 (0.45) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL1035234 0.75 MPL (0.52) MAPTTSHRHSD17B10CHRNB2CHRNB4
SCHEMBL1034318 0.75 FGFR4 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4RXFP1
SCHEMBL1033322 0.74 CHRNB2 (0.47) KDM4EALDH1A1MAPTTSHRHPGD
SCHEMBL1034904 0.74 CHRNB2 (0.55) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1035188 0.73 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A

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 7 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

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 KDM4E 1791/4885ALDH1A1 2326/4885MAPT 903/4885

“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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