SCHEMBL10310085

SCHEMBL10310085

CCc1cnc(C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
CYP2A6 P11509 1/20 0.37
PARP1 P09874 1/20 0.34
DHFR P00374 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL21711088 0.82 CYP2A6 (0.35) NOS2CYP2A6KDM4EL3MBTL1
SCHEMBL951059 0.79 NOS3 (0.41) NOS3NOS1NOS2PARP1DHFR
SCHEMBL1145964 0.79 ALDH1A1 (0.38) CYP2A6DHFRKDM4EESR1ESR2
SCHEMBL336161 0.79 SHBG (0.41) CYP2A6KDM4EESR1ESR2EHMT2
SCHEMBL19050129 0.79 PRMT5 (0.38) NOS3NOS1NOS2CYP2A6DHFR
SCHEMBL25759811 0.79 NOS3 (0.36) NOS3NOS1NOS2PARP1KDM4E
SCHEMBL19791983 0.79 USP7 (0.34) NOS3NOS1NOS2PARP1DHFR
SCHEMBL9128305 0.77 NOS3 (0.35) NOS3NOS1NOS2PARP1KDM4E
SCHEMBL2597202 0.77 NOS3 (0.35) NOS3NOS1NOS2PARP1CHRNB2
SCHEMBL10268101 0.77 NOS3 (0.56) NOS3NOS1NOS2PARP1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143185-B1 METHOD FOR THE ELECTROCHEMICAL AMINATION AT BORON DOPED DIAMOND ANODES COVESTRO DEUTSCHLAND AG (DE) 2018-10-03 EP claimed
EP-3143185-A1 METHOD FOR PRODUCING 1.5-DIAMINONAPHTHALENE AND 1-AMINO-5-NITRONAPHTHALENE BY DIRECT ELECTROCHEMICAL AMINATION OF NON-ACTIVATED OR DEACTIVATED AROMATIC SYSTEMS ON BORON-DOPED DIAMOND ANODES Covestro Deutschland AG (DE) 2017-03-22 EP claimed
WO-2015173221-A1 METHOD FOR PRODUCING 1.5-DIAMINONAPHTHALENE AND 1-AMINO-5-NITRONAPHTHALENE BY DIRECT ELECTROCHEMICAL AMINATION OF NON-ACTIVATED OR DEACTIVATED AROMATIC SYSTEMS ON BORON-DOPED DIAMOND ANODES COVESTRO DEUTSCHLAND AG (DE) 2015-11-19 WO claimed
WO-2023107597-A2 BICYCLIC HETEROAROMATIC AMIDE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20230128713-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-04-27 US disclosed
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-11 US disclosed
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-23 US disclosed
US-20180305830-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2018-10-25 US disclosed
EP-3143185-B1 METHOD FOR THE ELECTROCHEMICAL AMINATION AT BORON DOPED DIAMOND ANODES COVESTRO DEUTSCHLAND AG (DE) 2018-10-03 EP disclosed
EP-3362588-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS Covestro Deutschland AG (DE) 2018-08-22 EP disclosed
EP-2314585-B1 Condensed benzamide compounds as inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC (JP) 2012-09-12 EP disclosed
CN-101542647-B Magnetorheological formulation BASF SE 2012-07-25 CN disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
CN-1107057-C 3-amino-1-cyanophenyl-uracils BAYER AG (DE) 2003-04-30 CN disclosed
CN-1239954-A 3-amino-1-cyanophenyl-uracils BAYER AG (DE) 1999-12-29 CN 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-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NOS3 3992/4885NOS1 3616/4885NOS2 3812/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B NOS3 3855/4885NOS1 4414/4885NOS2 3745/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NOS3 3992/4885NOS1 3616/4885NOS2 3812/4885
US-20230128713-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 NOS3 2270/4885NOS1 862/4885NOS2 2140/4885
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 NOS3 125/4885NOS1 153/4885NOS2 107/4885
US-20180305830-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS DDC, BTD, BCAT1 NOS3 653/4885NOS1 955/4885NOS2 582/4885
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS ACOT7, AGPAT5, TST NOS3 4610/4885NOS1 4735/4885NOS2 4706/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 NOS3 1042/4885NOS1 452/4885NOS2 681/4885

“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.