Sugi Predict

Sugi Predict / Compounds / Naphthoquinone

Naphthoquinone

Naphthoquinone

SCHEMBL1820512

CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Pd].O=C1C=CC(=O)c2ccccc21

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ IDO1 P14902 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ SNCA P37840 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.41
▸ NSD1 Q96L73 1/20 0.41
▸ EHMT1 Q9H9B1 1/20 0.41
▸ ANPEP P15144 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37

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
Naphthoquinone SCHEMBL29639242 1.00 DPP4 (0.44) DPP4NR1H2NR1H3IDO1MAOA
SCHEMBL1821813 0.84 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPALDH1A1
Naphthoquinone SCHEMBL2318027 0.83 FAAH (0.40) DPP4NR1H2NR1H3IDO1MAOA
Hydrochloric Acid SCHEMBL28925989 0.82 GABRA1 (0.40) DPP4NR1H2NR1H3ANPEPALDH1A1
Hydrochloric Acid SCHEMBL1819293 0.82 GABRA1 (0.40) DPP4NR1H2NR1H3ANPEPALDH1A1
Naphthoquinone SCHEMBL820053 0.75 IDO1 (0.42) IDO1MAOAMAOBCDC25BAKT1
Naphthoquinone SCHEMBL29778087 0.75 IDO1 (0.42) IDO1MAOAMAOBCDC25BAKT1
SCHEMBL16655509 0.73 DPP4 (0.45) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL29445003 0.70 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPALDH1A1
SCHEMBL16267050 0.68 GABRA1 (0.43) DPP4NR1H2NR1H3ANPEPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793504-B2 Methods for cross coupling RECURIUM IP HOLDINGS, LLC (US) 2020-10-06 — — US claimed
US-20190202769-A1 METHODS FOR CROSS COUPLING RECURIUM IP HOLDINGS, LLC 2019-07-04 — — US claimed
EP-3504217-A1 METHODS FOR CROSS COUPLING Zeno Royalties & Milestones, LLC (US) 2019-07-03 — — EP claimed
WO-2018039232-A1 METHODS FOR CROSS COUPLING KALYRA PHARMACEUTICALS, INC. (US) 2018-03-01 — — WO claimed
EP-2736894-B1 METHOD FOR PRODUCING BENZO[B] THIOPHENE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2016-08-31 — — EP claimed
US-9206169-B2 Method for producing benzo[b]thiophene compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 — — US claimed
US-20140187782-A1 METHOD FOR PRODUCING BENZO[B]THIOPHENE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-03 — — US claimed
EP-2736894-A1 METHOD FOR PRODUCING BENZO[B]THIOPHENE COMPOUND Otsuka Pharmaceutical Co., Limited (JP) 2014-06-04 — — EP claimed
WO-2013015456-A1 METHOD FOR PRODUCING BENZO[B]THIOPHENE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-31 — — WO claimed
US-7737301-B2 Preparation of 2-bicyclopropyl-2-yl-phenylamine through catalyzing the dehydrochlorination in the presence of a palladium complex; cost efficiency; used as intermediates for the preparation of fungicides SYNGENTA CROP PROTECTION, INC. (US) 2010-06-15 — — US claimed
US-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 — — US claimed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 — — EP claimed
EP-1931618-A1 PROCESS FOR THE PRODUCTION OF ANILINES Syngeta Participations AG (CH) 2008-06-18 — — EP claimed
WO-2007025693-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2007-03-08 — — WO claimed
US-11279696-B2 Processes for the preparation of 7-{4-[4-(1-benzothiophen-4-yl) piperazin-1-yl]butoxy}quinolin-2(1H)-one MSN LABORATORIES PRIVATE LIMITED (IN) 2022-03-22 — — US disclosed
US-10793504-B2 Methods for cross coupling RECURIUM IP HOLDINGS, LLC (US) 2020-10-06 — — US disclosed
US-20190202769-A1 METHODS FOR CROSS COUPLING RECURIUM IP HOLDINGS, LLC 2019-07-04 — — US disclosed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 — — EP disclosed
EP-1931618-A1 PROCESS FOR THE PRODUCTION OF ANILINES Syngeta Participations AG (CH) 2008-06-18 — — EP disclosed
WO-2007025693-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2007-03-08 — — 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-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES CBR3, C1S, C9 DPP4 1588/4885NR1H2 2650/4885NR1H3 2524/4885
US-20190202769-A1 METHODS FOR CROSS COUPLING F2, C5, C9 DPP4 4635/4885NR1H2 2499/4885NR1H3 2739/4885
US-20140187782-A1 METHOD FOR PRODUCING BENZO[B]THIOPHENE COMPOUND H1-4, H1-0, RB1 DPP4 2745/4885NR1H2 2469/4885NR1H3 2451/4885
US-11279696-B2 Processes for the preparation of 7-{4-[4-(1-benzothiophen-4-yl) piperazin-1-yl]butoxy}quinolin-2(1H)-one CYP1B1, CYP4B1, CYP1A1 DPP4 1689/4885NR1H2 2413/4885NR1H3 2880/4885
US-10793504-B2 Methods for cross coupling F2, C5, C9 DPP4 4635/4885NR1H2 2499/4885NR1H3 2739/4885

“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.