SCHEMBL2525379

SCHEMBL2525379

O=C1C=Cc2cc(F)ccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.52
PTPN1 P18031 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CES1 P23141 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
BCHE P06276 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
IDO1 P14902 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ACHE P22303 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PTPN22 Q9Y2R2 1/20 0.52

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
SCHEMBL2896364 0.87 CA1 (0.45) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL8597869 0.83 PTPRC (0.60) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL16358234 0.75 CES1 (0.52) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL5401724 0.75 PTPRC (0.71) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL2527823 0.75 PTPRC (0.52) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL8152499 0.75 PTPRC (0.52) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL16900338 0.75 PTPRC (0.53) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL2525185 0.75 PTPRC (0.52) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL27351245 0.74 CA1 (0.45) PTPRCPTPN1KDM4ECES1MEN1
SCHEMBL7813036 0.73 CA1 (0.54) PTPN1KDM4EIDO1ACHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876368-A1 USE OF MONO- OR DIKETONE TETRACYCLIC DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-11-11 EP claimed
WO-1997021709-A1 USE OF MONO- OR DIKETONE TETRACYCLIC DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA (FR) 1997-06-19 WO claimed
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
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 WO disclosed
EP-0876368-A1 USE OF MONO- OR DIKETONE TETRACYCLIC DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-11-11 EP disclosed
WO-1997021709-A1 USE OF MONO- OR DIKETONE TETRACYCLIC DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA (FR) 1997-06-19 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 (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 2758/4885KDM4E 3675/4885
US-20090105166-A1 Novel lapachone compounds and methods of use thereof BAD, NQO1, CASP3 PTPRC 1953/4885PTPN1 2758/4885KDM4E 3675/4885

“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.