SCHEMBL917397

SCHEMBL917397

O=C1C(Cl)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
MAPT P10636 4/20 0.68
LMNA P02545 2/20 0.68
USP2 O75604 1/20 0.68
TP53 P04637 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
HPGD P15428 1/20 0.68
TSHR P16473 1/20 0.68
HIF1A Q16665 1/20 0.68
IDO1 P14902 2/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
RAB9A P51151 1/20 0.45
GPR174 Q9BXC1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL1542662 1.00 KMT2A (0.68) KMT2AMEN1MAPTLMNAUSP2
SCHEMBL12589641 1.00 KMT2A (0.68) KMT2AMEN1MAPTLMNAUSP2
SCHEMBL917772 1.00 KMT2A (0.68) KMT2AMEN1MAPTLMNAUSP2
SCHEMBL13464148 0.88 KMT2A (0.61) KMT2AMEN1MAPTLMNAUSP2
SCHEMBL12589647 0.85 MAPT (0.64) KMT2AMEN1MAPTLMNAUSP2
Atovaquone SCHEMBL21694 0.85 MAPT (0.82) KMT2AMEN1MAPTLMNAUSP2
Atovaquone SCHEMBL637069 0.85 MAPT (0.82) KMT2AMEN1MAPTLMNAUSP2
Atovaquone SCHEMBL20769805 0.85 MAPT (0.82) KMT2AMEN1MAPTLMNAUSP2
Atovaquone SCHEMBL9975142 0.85 MAPT (0.82) KMT2AMEN1MAPTLMNAUSP2
SCHEMBL9148028 0.85 MAPT (0.64) KMT2AMEN1MAPTLMNAUSP2

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 77 patents — showing the first 20. 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-2010023686-A2 CRYSTALLINE FORM OF 2-CHLORO-3-[4-(4-CHLOROPHENYL) CYCLOHEXYL] [1,4]NAPHTHOQUINONE, PROCESS FOR THE SAME AND USE FOR PRODUCING 2-[4-(4-CHLOROPHENYL)CYCLOHEXYL]-3- HYDROXY- 1,4- NAPHTHOQUINONE MATRIX LABORATORIES LIMITED (IN) 2010-03-04 WO claimed
WO-2009122432-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE ALKEM LABORATORIES LTD. (IN) 2009-10-08 WO claimed
WO-2008122988-A1 PROCESS FOR PREPARATION OF ATOVAQUONE AND THE CONVERSION OF CIS-ISOMER TO TRANS- ISOMER CADILA HEALTHCARE LIMITED (IN) 2008-10-16 WO claimed
EP-0362996-B1 Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections WELLCOME FOUND (GB) 1994-04-27 EP claimed
EP-0362996-A2 Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 EP claimed
CN-110734369-B Preparation method of atovaquone 新发药业有限公司 2022-08-12 CN disclosed
CN-110734369-A Preparation method of atovaquones 新发药业有限公司 2020-01-31 CN disclosed
US-9169232-B2 3-(5-methyl-2-oxo-l, 3-dioxol-4-yl) methyloxy-2-trans-[(4-chloro phenyl) cyclohexyl][1,4]naphthaquinone-atovaquone prodrug ALKEM LABORATORIES LIMITED (IN) 2015-10-27 US disclosed
US-20140343297-A1 3-(5-METHYL-2-OXO-L, 3-DIOXOL-4-YL) METHYLOXY-2- TRANS-[(4-CHLORO PHENYL) CYCLOHEXYL][1,4]NAPHTHAQUINONE-ATOVAQUONE PRODRUG ALKEM LABORATORIES LTD. (IN) 2014-11-20 US disclosed
WO-2013098832-A4 NOVEL PROCESS FOR SELECTIVE ISOLATION AND PURIFICATION OF 2-[4-(4-CHLOROPHENYL) CYCLOHEXYL]-3-CHLORO-1, 4-NAPHTHOQUINONE AND ATOVAQUONE DISHMAN PHARMACEUTICALS & CHEMICALS LTD. (IN) 2013-12-05 WO disclosed
WO-2013098832-A3 NOVEL PROCESS FOR SELECTIVE ISOLATION AND PURIFICATION OF 2-[4-(4-CHLOROPHENYL) CYCLOHEXYL]-3-CHLORO-1, 4-NAPHTHOQUINONE AND ATOVAQUONE DISHMAN PHARMACEUTICALS & CHEMICALS LTD. (IN) 2013-10-10 WO disclosed
EP-0572615-A1 MEDICAMENT FOR TREATMENT OF PROTOZOAL INFECTIONS THE WELLCOME FOUNDATION LIMITED (GB) 1993-12-08 EP disclosed
EP-0567162-A1 Medicaments for the treatment of toxoplasmosis THE WELLCOME FOUNDATION LIMITED (GB) 1993-10-27 EP disclosed
US-5225184-A Medicaments BURROUGHS WELLCOME CO. (US) 1993-07-06 US disclosed
WO-1993011756-A1 MEDICAMENT FOR TREATMENT OF PROTOZOAL INFECTIONS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-24 WO disclosed
US-5206268-A Medicaments BURROUGHS WELLCOME CO. (US) 1993-04-27 US disclosed
EP-0362996-A2 Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 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-20140343297-A1 3-(5-METHYL-2-OXO-L, 3-DIOXOL-4-YL) METHYLOXY-2- TRANS-[(4-CHLORO PHENYL) CYCLOHEXYL][1,4]NAPHTHAQUINONE-ATOVAQUONE PRODRUG DHPS, ATIC, DHODH KMT2A 1517/4885MEN1 3297/4885MAPT 2378/4885
US-20110004024-A1 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE RECQL, NQO2, NQO1 KMT2A 1187/4885MEN1 1821/4885MAPT 4841/4885

“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.