SCHEMBL7098579

SCHEMBL7098579

CC1=C(C(=O)c2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
LMNA P02545 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
HKDC1 Q2TB90 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
XBP1 P17861 1/20 0.62
MAPT P10636 5/20 0.54
HTT P42858 5/20 0.54
KDM4E B2RXH2 3/20 0.54
APAF1 O14727 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MITF O75030 1/20 0.54
HPGD P15428 2/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49

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
SCHEMBL12834560 0.91 KMT2A (0.59) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12761941 0.89 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12834559 0.88 LMNA (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12969793 0.87 MEN1 (0.55) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12834576 0.86 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12834569 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12834565 0.86 KMT2A (0.51) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29001210 0.86 MEN1 (0.72) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12834566 0.84 MAPT (0.53) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12834571 0.84 SRD5A2 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691372-B1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NAT RECH SCIENT (FR) 2019-10-16 EP disclosed
EP-2691372-B1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NAT RECH SCIENT (FR) 2019-10-16 EP 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-9409879-B2 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-09 US 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
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
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 US disclosed
EP-2691372-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS Centre National De La Recherche Scientifique (FR) 2014-02-05 EP disclosed
WO-2012131010-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-04 WO disclosed
EP-2505583-A1 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents Centre National de la Recherche Scientifique (FR) 2012-10-03 EP disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 US disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 US disclosed
WO-2009118327-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-01 WO disclosed
EP-0764886-B1 Electrophotosensitive material containing a naphthoquinone derivative KYOCERA MITA CORP (JP) 2003-09-03 EP disclosed
US-5994012-A CHARGE GENERATING COMPOUND, CHARGE TRANSFER COMPOUND AND BINDER MITA INDUSTRIAL CO., LTD. (JP) 1999-11-30 US disclosed
US-5863688-A REACTING 1,3-INDANDIONE DERIVATIVE WITH A BROMOACETIC ESTER TO FORM 1,3-INDANDIONE ESTER, ISOMERIZING THE ESTER DERIVATIVE IN PRESENCE OF SODIUM HYDRIDE TO FORM NAPHTHOIC ESTER, OXIDIZING TO FORM NAPHTHOQUINONE DERIVATIVE MITA INDUSTRIAL CO., LTD (JP) 1999-01-26 US disclosed
EP-0764886-A2 Naphthoquinone derivative and electrophotosensitive material using the same MITA INDUSTRIAL CO. LTD. (JP) 1997-03-26 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 (2 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-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS NQO1, AOX1, CYP4X1 ALDH1A1 293/4885LMNA 2247/4885MEN1 2913/4885
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF NQO1, NDUFV2, RECQL ALDH1A1 539/4885LMNA 421/4885MEN1 2491/4885

“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.