SCHEMBL30490

SCHEMBL30490

O=C1C=C(O)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.57
HSP90AA1 P07900 1/20 0.53
PPOX P50336 1/20 0.42
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
USP8 P40818 2/20 0.39
USP7 Q93009 2/20 0.39
USP47 Q96K76 1/20 0.39
CES1 P23141 2/20 0.39
TGM2 P21980 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
ESR1 P03372 1/20 0.38
MAOA P21397 1/20 0.38
UGT1A1 P22309 1/20 0.38

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
SCHEMBL976245 0.92 HSP90AA1 (0.53) S100A4HSP90AA1PPOXPTPN1PTPN11
SCHEMBL9629435 0.80 S100A4 (0.61) S100A4HSP90AA1PPOXPTPN1PTPN11
SCHEMBL29407366 0.80 ESR2 (0.61) USP7USP47KDM4EALDH1A1CYP3A4
SCHEMBL5817037 0.80 ESR2 (0.61) USP7USP47KDM4EALDH1A1CYP3A4
SCHEMBL18992102 0.78 KDM4E (0.38) S100A4HSP90AA1CES1KDM4EALDH1A1
SCHEMBL30003252 0.78 KDM4E (0.38) S100A4HSP90AA1CES1KDM4EALDH1A1
SCHEMBL10086888 0.77 CA9 (0.44) PTPN1USP8USP7USP47KDM4E
SCHEMBL21013875 0.77 TGM2 (0.39) CES1TGM2KDM4EALDH1A1CYP3A4
SCHEMBL18992188 0.77 BCL2 (0.58) S100A4CES1TGM2KDM4EALDH1A1
SCHEMBL28591550 0.77 MAOA (0.53) KDM4EALDH1A1CYP3A4MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007985-B1 6-CHLORO-2,3-DIHYDROXY-1,4-NAPHTHOQUINONE AND ITS 2,3-DIESTERS, AND THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1982-09-01 EP claimed
EP-0007985-A1 6-Chloro-2,3-dihydroxy-1,4-naphthoquinone and its 2,3-diesters, and their preparation SYNTEX (U.S.A.) INC. (US) 1980-02-20 EP claimed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
WO-2017106624-A1 NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-22 WO disclosed
WO-2017106624-A1 NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-22 WO disclosed
US-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
EP-0644878-A1 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1995-03-29 EP disclosed
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO disclosed
WO-1993025534-A1 2,5-DIOXO-2,5-DIHYDRO-1H-BENZ[b]AZEPINES AS NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1993-12-23 WO disclosed
US-5254683-A Neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0517876-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS. ICI PLC (GB) 1992-12-16 EP disclosed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 WO disclosed
EP-0007985-B1 6-CHLORO-2,3-DIHYDROXY-1,4-NAPHTHOQUINONE AND ITS 2,3-DIESTERS, AND THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1982-09-01 EP disclosed
US-4255405-A 2,3-DIESTERS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
EP-0007985-A1 6-Chloro-2,3-dihydroxy-1,4-naphthoquinone and its 2,3-diesters, and their preparation SYNTEX (U.S.A.) INC. (US) 1980-02-20 EP 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-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof NQO1, RECQL, ABCB1 S100A4 2683/4885HSP90AA1 1460/4885PPOX 1281/4885
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF NQO1, RECQL, ABCB1 S100A4 2683/4885HSP90AA1 1460/4885PPOX 1281/4885
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 S100A4 2159/4885HSP90AA1 1319/4885PPOX 738/4885

“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.