SCHEMBL2066474

SCHEMBL2066474

CC(=O)NCc1[c]nccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
SETDB1 Q15047 1/20 0.38
MTNR1A P48039 7/20 0.37
MTNR1B P49286 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ELANE P08246 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4988306 0.83 TSHR (0.41) KMT2AMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL4988588 0.79 NAMPT (0.49) L3MBTL1RAB9APOLBKDM4ECYP1A2
SCHEMBL4986666 0.77 NPSR1 (0.44) NPSR1L3MBTL1KMT2ASETDB1HDAC1
SCHEMBL20855044 0.77 POLB (0.33) L3MBTL1MAPTALDH1A1POLBKDM4E
SCHEMBL3757740 0.74 SETDB1 (0.44) NPSR1L3MBTL1KMT2ASETDB1MTNR1A
SCHEMBL3514897 0.72 NAMPT (0.41) KMT2ASETDB1ALDH1A1POLBKDM4E
SCHEMBL1234999 0.72 CYP4F2 (0.39) NPSR1L3MBTL1KMT2AMAPTRAB9A
SCHEMBL754247 0.71 NPSR1 (0.46) NPSR1L3MBTL1KMT2ASETDB1MTNR1A
SCHEMBL1482847 0.71 NAPRT (0.44) KMT2AMAPTALDH1A1KDM4ECYP1A2
SCHEMBL4991789 0.70 NPSR1 (0.41) NPSR1L3MBTL1KMT2ASETDB1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 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 (5 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R NPSR1 306/4885L3MBTL1 4631/4885KMT2A 3245/4885
US-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 NPSR1 4764/4885L3MBTL1 2675/4885KMT2A 4398/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 NPSR1 4320/4885L3MBTL1 2657/4885KMT2A 1019/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 NPSR1 4320/4885L3MBTL1 2657/4885KMT2A 1019/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 NPSR1 4780/4885L3MBTL1 2750/4885KMT2A 4396/4885

“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.