SCHEMBL97050

SCHEMBL97050

O=[C]c1cccc2nccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL2010937 0.86 ALDH1A1 (0.40) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL738267 0.79 KDM4E (0.48) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1126888 0.79 MAPT (0.48) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL29722397 0.79 MAPT (0.48) KDM4EMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL29722349 0.78 MAPT (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL194280 0.75 KDM4E (0.54) KDM4EMAPTALDH1A1POLBADRA1A
SCHEMBL2009861 0.73 MAPT (0.52) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11285835 0.72 PARP1 (0.35) KDM4EALDH1A1NPC1RAB9A
SCHEMBL276920 0.71 KDM4E (0.54) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6007440 0.71 MAPT (0.50) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105939715-A Fixed dose combinations of antiviral compounds 默沙东公司 2016-09-14 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE KDM4E 2563/4885MAPT 4000/4885ALDH1A1 592/4885
US-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 KDM4E 3426/4885MAPT 1800/4885ALDH1A1 3275/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KDM4E 3919/4885MAPT 4773/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885MAPT 4773/4885ALDH1A1 2458/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A KDM4E 3021/4885MAPT 4875/4885ALDH1A1 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.