SCHEMBL2481608

SCHEMBL2481608

Cc1nc2ccc([N+](=O)[O-])cc2n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 4/20 0.51
PKM P14618 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
FGFR1 P11362 1/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CYP19A1 P11511 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL29063683 0.98 RAB9A (0.51) RAB9ANPC1ALDH1A1PKMRXFP1
SCHEMBL588563 0.87 RAB9A (0.62) RAB9ANPC1ALDH1A1PKMRXFP1
Ammonia Solution, Strong SCHEMBL20358007 0.86 RAB9A (0.60) RAB9ANPC1ALDH1A1PKMRXFP1
SCHEMBL20982526 0.84 RAB9A (0.72) RAB9ANPC1ALDH1A1PKMRXFP1
SCHEMBL17488171 0.83 ALDH1A1 (0.51) RAB9AALDH1A1PKMRXFP1MAPT
SCHEMBL3834332 0.83 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1PKMRXFP1
SCHEMBL29921905 0.80 MAPT (0.49) RAB9ANPC1ALDH1A1PKMRXFP1
SCHEMBL3969164 0.80 MEN1 (0.50) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL7261471 0.80 CYP1A2 (0.56) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL20982760 0.80 ALDH1A1 (0.69) RAB9ANPC1ALDH1A1PKMRXFP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
US-8735432-B2 N-(Heteroaryl)-1-heteroarylalky1-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 US disclosed
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof DUBOIS LAURENT (FR) 2013-02-21 US disclosed
US-8318775-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-27 US disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
US-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
US-7745467-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-29 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-06-19 US disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 US disclosed
US-6828116-B1 Energy transfer assay method and reagent AMERSHAM BIOSCIENCES UK LIMITED (GB) 2004-12-07 US disclosed
EP-1086179-B1 ENERGY TRANSFER ASSAY METHOD AND REAGENT AMERSHAM BIOSCIENCES UK LTD (GB) 2003-04-23 EP disclosed
EP-1086179-A1 ENERGY TRANSFER ASSAY METHOD AND REAGENT Amersham Pharmacia Biotech UK Ltd. (GB) 2001-03-28 EP disclosed
WO-1999064519-A1 ENERGY TRANSFER ASSAY METHOD AND REAGENT AMERSHAM BIOSCIENCES CORP (GB) 1999-12-16 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 (8 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-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 RAB9A 2329/4885NPC1 230/4885ALDH1A1 862/4885
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A RAB9A 211/4885NPC1 4158/4885ALDH1A1 623/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 RAB9A 975/4885NPC1 1354/4885ALDH1A1 2072/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A RAB9A 211/4885NPC1 4158/4885ALDH1A1 623/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 RAB9A 2329/4885NPC1 230/4885ALDH1A1 862/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A RAB9A 211/4885NPC1 4158/4885ALDH1A1 623/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 RAB9A 2329/4885NPC1 230/4885ALDH1A1 862/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A RAB9A 211/4885NPC1 4158/4885ALDH1A1 623/4885

“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.