SCHEMBL2523397

SCHEMBL2523397

COc1ccc2c(c1)C=CC(=O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.57
PTPN1 P18031 3/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 4/20 0.47
PKM P14618 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
IDO1 P14902 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL1893435 0.89 CA9 (0.50) PTPRCPTPN1CA1CA2CA4
SCHEMBL2529848 0.85 PTPRC (0.55) PTPRCPTPN1CA1CA2CA4
SCHEMBL31439223 0.77 CA2 (0.50) PTPRCPTPN1CA1CA2CA4
SCHEMBL7038422 0.77 CA2 (0.50) PTPRCPTPN1CA1CA2CA4
SCHEMBL11352811 0.76 CA1 (0.58) PTPN1CA1CA2CA4CA7
SCHEMBL16900338 0.75 PTPRC (0.53) PTPRCPTPN1CA1CA2CA4
SCHEMBL11834110 0.74 METAP1 (0.45) PTPN1CA1CA2CA4CA7
SCHEMBL30487232 0.74 METAP1 (0.45) PTPN1CA1CA2CA4CA7
SCHEMBL8221232 0.73 PTPN1 (0.46) PTPN1CA1CA2CA4CA7
SCHEMBL6231632 0.73 PTPRC (1.00) PTPRCPTPN1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039503-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-10-18 US disclosed
US-8039503-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-10-18 US disclosed
US-8039503-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-10-18 US disclosed
US-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof ARQULE, INC. (US) 2011-05-05 US disclosed
US-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof ARQULE, INC. (US) 2011-05-05 US disclosed
US-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof ARQULE, INC. (US) 2011-05-05 US disclosed
US-7902354-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902354-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902354-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-03-08 US disclosed
US-20090105166-A1 Novel lapachone compounds and methods of use thereof ARQULE, INC. 2009-04-23 US disclosed
US-20090105166-A1 Novel lapachone compounds and methods of use thereof ARQULE, INC. 2009-04-23 US disclosed
US-20090105166-A1 Novel lapachone compounds and methods of use thereof ARQULE, INC. 2009-04-23 US disclosed
EP-2035435-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2009-03-18 EP disclosed
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 WO disclosed
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 WO disclosed
US-4069123-A ALKYL ACRYLATE OR METHACRYLATE HOMO- OR COPOLYMER WITH QUINONE TYPE ULTRAVIOLET SENSITIZER NATIONAL STARCH & CHEMICAL CORPORATION (US) 1978-01-17 US 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-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof BAD, NQO1, CASP3 PTPRC 1953/4885PTPN1 2758/4885CA1 2818/4885
US-20090105166-A1 Novel lapachone compounds and methods of use thereof BAD, NQO1, CASP3 PTPRC 1953/4885PTPN1 2758/4885CA1 2818/4885

“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.