SCHEMBL916442

SCHEMBL916442

O=C1C(Cl)=C(C2CCCCC2)C(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
DNMT1 P26358 1/20 0.52
DNMT3L Q9UJW3 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.52
PTPN1 P18031 2/20 0.51
PTPRC P08575 2/20 0.51
CDC25B P30305 2/20 0.51
PTPRF P10586 1/20 0.51
MAPT P10636 8/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
NPSR1 Q6W5P4 5/20 0.48
APAF1 O14727 4/20 0.48
HTT P42858 4/20 0.48
TDP2 O95551 4/20 0.48
HKDC1 Q2TB90 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 3/20 0.48
PKM P14618 3/20 0.48
S1PR4 O95977 2/20 0.48

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
SCHEMBL11120217 1.00 IDO1 (0.52) IDO1DNMT1DNMT3LDNMT3APTPN1
SCHEMBL917397 0.80 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL917772 0.80 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL12589641 0.80 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL1542662 0.80 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL917110 0.79 CDC25B (0.46) IDO1DNMT1DNMT3LDNMT3ACDC25B
SCHEMBL9682118 0.79 IDO1 (0.44) IDO1DNMT1DNMT3LDNMT3APTPN1
SCHEMBL9856931 0.79 CDC25B (0.46) IDO1DNMT1DNMT3LDNMT3ACDC25B
SCHEMBL16363681 0.79 MAPT (0.57) PTPN1PTPRCCDC25BPTPRFMAPT
Parvaquone SCHEMBL916441 0.79 APAF1 (0.52) PTPN1PTPRCCDC25BPTPRFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283499-B2 Preparation of naphthoquinone compounds using 2,3-dihalonaphthoquinone ALKEM LABORATORIES LIMITED (IN) 2012-10-09 US claimed
US-20110004024-A1 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE ALKEM LABORATORIES LIMITED (IN) 2011-01-06 US claimed
EP-2250145-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE Alkem Laboratories Ltd. (IN) 2010-11-17 EP claimed
WO-2009122432-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE ALKEM LABORATORIES LTD. (IN) 2009-10-08 WO claimed
US-8283499-B2 Preparation of naphthoquinone compounds using 2,3-dihalonaphthoquinone ALKEM LABORATORIES LIMITED (IN) 2012-10-09 US disclosed
US-8283499-B2 Preparation of naphthoquinone compounds using 2,3-dihalonaphthoquinone ALKEM LABORATORIES LIMITED (IN) 2012-10-09 US disclosed
US-8283499-B2 Preparation of naphthoquinone compounds using 2,3-dihalonaphthoquinone ALKEM LABORATORIES LIMITED (IN) 2012-10-09 US disclosed
US-20110004024-A1 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE ALKEM LABORATORIES LIMITED (IN) 2011-01-06 US disclosed
US-20110004024-A1 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE ALKEM LABORATORIES LIMITED (IN) 2011-01-06 US disclosed
US-20110004024-A1 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE ALKEM LABORATORIES LIMITED (IN) 2011-01-06 US disclosed
EP-2250145-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE Alkem Laboratories Ltd. (IN) 2010-11-17 EP disclosed
WO-2009122432-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE ALKEM LABORATORIES LTD. (IN) 2009-10-08 WO disclosed
WO-2009122432-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE ALKEM LABORATORIES LTD. (IN) 2009-10-08 WO disclosed
US-4507241-A Method for the hydrocarbylation of naphthoquinone derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-03-26 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 (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-20110004024-A1 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE RECQL, NQO2, NQO1 IDO1 1737/4885DNMT1 1735/4885DNMT3L 2599/4885

“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.