SCHEMBL1027499

SCHEMBL1027499

COC(=O)c1cccc(OC)c1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
SLC6A3 Q01959 1/20 0.49
LMNA P02545 1/20 0.48
CTSD P07339 1/20 0.47
CFTR P13569 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL2842204 0.86 TSHR (0.57) HSD17B10GAAMAPTTSHRMAPK1
SCHEMBL28453510 0.84 MAPK1 (0.42) HSD17B10GAAMAPTTSHRMAPK1
SCHEMBL1030835 0.83 HTT (0.58) HSD17B10MAPTTSHRMAPK1KDM4E
SCHEMBL28453511 0.82 CTSD (0.45) HSD17B10GAAMAPTTSHRMAPK1
SCHEMBL31388963 0.82 NR1I2 (0.46) HSD17B10GAAMAPTTSHRMAPK1
SCHEMBL9827014 0.82 HSD17B10 (0.47) HSD17B10GAAMAPTTSHRMAPK1
SCHEMBL17128303 0.81 CTSD (0.47) HSD17B10GAAMAPTTSHRMAPK1
SCHEMBL18315876 0.81 TSHR (0.56) HSD17B10GAAMAPTTSHRMAPK1
Methyl 2-Methoxybenzoate SCHEMBL196037 0.80 TSHR (0.69) HSD17B10GAAMAPTTSHRMAPK1
Methyl 2-Methoxybenzoate SCHEMBL29702077 0.80 TSHR (0.69) HSD17B10GAAMAPTTSHRMAPK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330442-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-01-19 EP disclosed
EP-1330442-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-01-19 EP disclosed
US-7750006-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2010-07-06 US disclosed
US-7750006-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2010-07-06 US disclosed
CN-100400518-C Phthalazinone derivatives KUDOS PHARM LTD (GB) 2008-07-09 CN disclosed
US-7151102-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-12-19 US disclosed
US-20060142293-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 US disclosed
CN-1473154-A Phthalazinone derivatives ������ҩ�����޹�˾ 2004-02-04 CN disclosed
EP-1330442-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2003-07-30 EP disclosed
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2002-12-05 US disclosed
US-6284753-B2 GRAMPOSITVE BACTERIA MERCK & CO., INC. 2001-09-04 US disclosed
US-6277843-B1 USEFUL AGAINST GRAMPOSITIVE BACTERIA, I.E., METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS, WITH REDUCED SIDE EFFECTS MERCK & CO., INC. 2001-08-21 US disclosed
US-20010011086-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. 2001-08-02 US disclosed
EP-1086104-A1 FUSED PHENOXYMETHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2001-03-28 EP disclosed
US-6207823-B1 ANTIBIOTIC; ANTIBIOTIC RESISTANT INFECTIONS MERCK & CO., INC. 2001-03-27 US disclosed
EP-1032384-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-09-06 EP disclosed
EP-1023293-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1999062907-A1 FUSED PHENOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-12-09 WO disclosed
WO-1999020270-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999014217-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-03-25 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 (3 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-20060142293-A1 Phthalazinone derivatives CBR1, CBR3, PARP2 HSD17B10 498/4885GAA 4278/4885MAPT 3788/4885
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives PARP1, PARP11, PARP3 HSD17B10 230/4885GAA 2135/4885MAPT 2544/4885
US-20010011086-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT TOP1, NRDC, PAICS HSD17B10 872/4885GAA 63/4885MAPT 4547/4885

“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.