Sugi Predict

Sugi Predict / Compounds / SCHEMBL1506959

SCHEMBL1506959

SCHEMBL1506959

COc1ccc(OC)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.53
▸ ADRA1D P25100 2/20 0.53
▸ ADRA1A P35348 2/20 0.53
▸ ADRA1B P35368 2/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ PDE4A P27815 2/20 0.52
▸ PDE4B Q07343 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ PDE4D Q08499 2/20 0.52
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ NSD2 O96028 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ G6PD P11413 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ NPC1 O15118 2/20 0.50

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
SCHEMBL13036181 0.86 KMT2A (0.50) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL12600028 0.86 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL3147583 0.86 PSMD14 (0.58) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL621309 0.85 KMT2A (0.54) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL12566073 0.85 NSD2 (0.54) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL9186410 0.85 KMT2A (0.55) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL1132599 0.85 G6PD (0.54) PDE4APDE4BPDE4CPDE4DNSD2
SCHEMBL625749 0.85 NSD2 (0.62) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL14468392 0.85 KDM4E (0.56) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL13509619 0.85 PSMD14 (0.51) HTR1AADRA1DADRA1AADRA1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257515-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2017-05-17 — — EP claimed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 — — US claimed
EP-2257515-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF Centre National de la Recherche Scientifique (FR) 2010-12-08 — — EP claimed
WO-2009118327-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-01 — — WO claimed
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same HUEN CO., LTD. (KR) 2021-02-23 — — US disclosed
CN-112062758-A Selenophenol quinoline derivative and preparation method and application thereof 广州新民培林医药科技有限公司 2020-12-11 — — CN disclosed
EP-3091005-B1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME HUEN CO LTD (KR) 2020-11-11 — — EP disclosed
CN-106103417-B The derivative and preparation method thereof of 1,2- naphthoquinones KT&G生命科学公司 2019-08-06 — — CN disclosed
EP-2257515-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2017-05-17 — — EP disclosed
CN-104193609-B 1, 4-naphthoquinone derivatives and therapeutic uses thereof 国家科研中心 2017-04-12 — — CN disclosed
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 — — US disclosed
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 — — US disclosed
EP-3091005-A1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME KT&G Life Sciences Corporation (KR) 2016-11-09 — — EP disclosed
CN-106103417-A Derivant of 1,2 naphthoquinone and preparation method thereof KT&G生命科学公司 2016-11-09 — — CN disclosed
US-9090549-B2 1,4-naphthoquinones derivatives and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-28 — — US disclosed
WO-2015102369-A1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME 주식회사 케이티앤지생명과학 2015-07-09 — — WO disclosed
CN-104193609-A 1, 4-naphthoquinone derivatives and therapeutic uses thereof CENTRE NAT RECH SCIENT 2014-12-10 — — CN disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 — — US disclosed
EP-2257515-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF Centre National de la Recherche Scientifique (FR) 2010-12-08 — — EP disclosed
WO-2009118327-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-01 — — 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 (3 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-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same UGT1A6, CYP2D6, SLC5A1 HTR1A 1394/4885ADRA1D 438/4885ADRA1A 703/4885
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF NQO1, NDUFV2, RECQL HTR1A 4097/4885ADRA1D 3297/4885ADRA1A 2405/4885
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, SLC5A1, CYP2D6 HTR1A 1299/4885ADRA1D 387/4885ADRA1A 607/4885

“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.