SCHEMBL2479192

SCHEMBL2479192

COC(=O)c1c(CC=O)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
ABCC4 O15439 1/20 0.43
PLIN1 O60240 1/20 0.43
CACNA1F O60840 1/20 0.43
GMNN O75496 1/20 0.43
KCNK2 O95069 1/20 0.43
ABCB11 O95342 1/20 0.43
GSR P00390 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 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
SCHEMBL1803625 0.88 SMN1; SMN2 (0.45) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL24861312 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL11871085 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL283180 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL11398188 0.82 TDP1 (0.56) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL4024208 0.81 SMN1; SMN2 (0.46) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL4089371 0.80 SMN1; SMN2 (0.45) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL1612651 0.80 ALDH1A1 (0.57) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL4101072 0.80 TDP1 (0.46) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1
SCHEMBL5467147 0.78 MAPK1 (0.49) SMN1; SMN2TDP1L3MBTL1MAPTALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US disclosed
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US disclosed
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US disclosed
EP-2373646-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010077947-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077947-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 US 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 (2 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-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 SMN1; SMN2 2647/4885TDP1 1244/4885L3MBTL1 3445/4885
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2484/4885TDP1 1672/4885L3MBTL1 3339/4885

“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.