SCHEMBL758788

SCHEMBL758788

Cc1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 5/20 0.41
KDM4E B2RXH2 5/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
NQO2 P16083 1/20 0.32
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2798405 0.84 KDM4E (0.45) CYP2A6TDP1ALDH1A1CYP1A2KDM4E
SCHEMBL10257306 0.78 CYP2A6 (0.46) CYP2A6TDP1ALDH1A1CYP1A2KDM4E
SCHEMBL2107267 0.76 CYP1A2 (0.45) CYP2A6ALDH1A1CYP1A2KDM4ESMN1; SMN2
SCHEMBL16627017 0.76 CYP2A6 (0.45) CYP2A6TDP1ALDH1A1CYP1A2KDM4E
SCHEMBL5782822 0.76 CYP2A6 (0.45) CYP2A6TDP1ALDH1A1CYP1A2KDM4E
SCHEMBL1286632 0.76 MEN1 (0.47) TDP1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2088214 0.76 CYP2A6 (0.45) CYP2A6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1771117 0.76 TNNI3 (0.47) TDP1ALDH1A1CYP1A2KMT2AATM
SCHEMBL2607482 0.76 UGT2B7 (0.39) ALDH1A1CYP1A2LMNASMN1; SMN2KMT2A
SCHEMBL15828574 0.76 ALDH1A1 (0.34) TDP1ALDH1A1SMN1; SMN2KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118207416-A Method for separating and extracting lanthanum/actinides by using novel asymmetric extractant, asymmetric extractant and preparation method thereof 浙江大学 2024-06-18 CN disclosed
CN-117964553-A Method for selectively synthesizing 2-amido quinoline-N-oxide compound from quinoline-N-oxide compound 延安大学 2024-05-03 CN disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
CN-117384154-A Pyrroloquinolinone compound, synthesis method and application thereof 广州医科大学 2024-01-12 CN disclosed
CN-108690053-A Heteroaryl compound and its application method 桑诺维恩药品公司 2018-10-23 CN disclosed
EP-2925762-B1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
EP-2925762-B1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
US-9670230-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-9670230-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
EP-2118093-B1 [1,2,3]TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK CANADA INC (CA) 2012-03-21 EP disclosed
US-7960409-B2 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20080287516-A1 Phenyl-Substituted Pyrrolidones IRM LLC (BM) 2008-11-20 US disclosed
WO-2008095292-A1 [1,2,3] TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2008-08-14 WO disclosed
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 US disclosed
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 US disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP 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 (4 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-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents ALOX5, ALOX15, ALOX15B CYP2A6 809/4885TDP1 1836/4885ALDH1A1 237/4885
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R CYP2A6 2701/4885TDP1 925/4885ALDH1A1 1308/4885
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A CYP2A6 1809/4885TDP1 980/4885ALDH1A1 572/4885
US-20080287516-A1 Phenyl-Substituted Pyrrolidones MALT1, FKBP5, PREP CYP2A6 606/4885TDP1 534/4885ALDH1A1 927/4885

“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.