SCHEMBL2011180

SCHEMBL2011180

Nn1cc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 9/20 0.35
HSD17B10 Q99714 7/20 0.35
TSHR P16473 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 5/20 0.33
HPGD P15428 4/20 0.33
KEAP1 Q14145 1/20 0.33
NOS2 P35228 2/20 0.32
ALOX15 P16050 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HBB P68871 1/20 0.32
HIF1A Q16665 1/20 0.32
HPRT1 P00492 1/20 0.32
SMN1; SMN2 Q16637 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
Naphthalene SCHEMBL9410145 0.70 CYP2A6 (0.73) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL7097704 0.69 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL2011178 0.67 CYP2A6 (0.44) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL5809496 0.67 CYP2A6 (0.44) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL276020 0.67 CYP2A6 (0.44) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL276021 0.67 CYP2A6 (0.44) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL6513224 0.67 CYP2A6 (0.44) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
SCHEMBL129937 0.67 CYP2A6 (0.44) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL3058088 0.65 CYP2A6 (0.80) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL1331142 0.64 CYP2A6 (1.00) CYP2A6ALOX12ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630764-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-04-08 EP disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
CN-104277002-A Glycinamide derivative, and intermediate, preparation method, pharmaceutical composition and application thereof SHANGHAI INST PHARM INDUSTRY 2015-01-14 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 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 (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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 CYP2A6 211/4885ALOX12 2299/4885ALDH1A1 2252/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE CYP2A6 1204/4885ALOX12 168/4885ALDH1A1 592/4885
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP2A6 2293/4885ALOX12 3360/4885ALDH1A1 686/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 CYP2A6 76/4885ALOX12 457/4885ALDH1A1 1146/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A CYP2A6 219/4885ALOX12 2185/4885ALDH1A1 2087/4885

“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.