SCHEMBL9004447

SCHEMBL9004447

CC1=CC(=O)C=C(Br)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
PTGS2 P35354 1/20 0.52
DDAH1 O94760 1/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
USP2 O75604 3/20 0.33
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 3/20 0.33
BLM P54132 3/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 2/20 0.33
HKDC1 Q2TB90 1/20 0.33
PLIN1 O60240 1/20 0.33
NR1I2 O75469 1/20 0.33
GSR P00390 1/20 0.33

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
SCHEMBL21463 0.80 MAPT (0.41) ALOX5PTGS2DDAH1MAPTMEN1
SCHEMBL891446 0.80 ALOX5 (0.56) ALOX5PTGS2MAPTMEN1KMT2A
Duroquinone SCHEMBL11408085 0.72 DDAH1 (0.36) ALOX5PTGS2DDAH1MAPTMEN1
SCHEMBL7115894 0.69 ALOX5 (1.00) ALOX5PTGS2MAPTMEN1KMT2A
SCHEMBL5160971 0.68 MAPT (0.40) ALOX5DDAH1MAPTMEN1KMT2A
SCHEMBL28702111 0.68 ALOX5 (0.46) ALOX5PTGS2BACE1
SCHEMBL5457397 0.68 MAPT (0.40) ALOX5DDAH1MAPTMEN1KMT2A
SCHEMBL31415084 0.68 ALOX5 (0.46) ALOX5PTGS2BACE1
SCHEMBL28718131 0.68 ALOX5 (0.46) ALOX5PTGS2MAPTMEN1KMT2A
SCHEMBL2682760 0.65 S100A4 (0.41) ALOX5DDAH1MAPTMEN1KMT2A

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 10 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
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-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
WO-2016051799-A1 2-AMINOHYDROQUINONE DERIVATIVE AND TAU AGGREGATION INHIBITOR 学校法人同志社 2016-04-07 WO 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
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
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-5500760-A Electrochemichromic solutions, processes for preparing and using the same, and devices manufactured with the same DONNELLY CORPORATION (US) 1996-03-19 US disclosed
EP-0531143-A2 Electrochemichromic solutions, processes for preparing and using the same, and devices manufactured with the same DONNELLY CORPORATION (US) 1993-03-10 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 (1 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 ALOX5 238/4885PTGS2 320/4885DDAH1 324/4885

“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.