SCHEMBL1600830

SCHEMBL1600830

O=CC(=O)Nc1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
GAA P10253 2/20 0.65
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
EPHX1 P07099 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
GSK3B P49841 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL11114285 0.85 KDM4E (0.65) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL29591698 0.84 KDM4E (0.62) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL647157 0.84 KDM4E (0.62) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL9347143 0.84 KDM4E (0.62) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL6392056 0.81 KDM4E (0.65) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL6892140 0.81 KDM4E (0.65) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL12359712 0.81 KDM4E (0.59) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL13381366 0.81 KDM4E (0.65) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL11109764 0.81 MAPT (0.60) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL31337824 0.81 KDM4E (0.65) KDM4EGAARAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011670-A4 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS LILLY CO ELI (US) 2004-10-27 EP claimed
JP-2003525901-A 2003-09-02 JP claimed
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY 2003-06-26 US claimed
US-20030087944-A1 Method for the treatment of renal dysfunction with spla2 inhibitors CONCORD (HK) INTERNATIONAL EDUCATION LIMITED (HK) 2003-05-08 US claimed
EP-1265607-A2 METHOD FOR THE TREATMENT OF RENAL DYSFUNCTION WITH sPLA 2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-12-18 EP claimed
EP-0779273-B1 Naphthyl glyoxamides as sPLA2 inhibitors LILLY CO ELI (US) 2002-03-20 EP claimed
WO-2001066110-A2 METHOD FOR THE TREATMENT OF RENAL DYSFUNCTION WITH sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-09-13 WO claimed
WO-2001066111-A1 COMPOSITIONS CONTAINING POTENTIAL SPLA2 INHIBITORS FOR THE TREATMENT OF PAIN ELI LILLY AND COMPANY (US) 2001-09-13 WO claimed
WO-2001055108-A2 USE OF SPL A2 INHIBITORS FOR THE TREATMENT OF INFLAMMATION ELI LILLY AND COMPANY (US) 2001-08-02 WO claimed
US-6090850-A SEPSIS SHOCK ELI LILLY AND COMPANY (US) 2000-07-18 US claimed
EP-1011670-A1 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS ELI LILLY AND COMPANY (US) 2000-06-28 EP claimed
EP-1007056-A1 METHOD FOR THE TREATMENT OF CYSTIC FIBROSIS ELI LILLY AND COMPANY (US) 2000-06-14 EP claimed
WO-1999016453-A1 METHOD FOR THE TREATMENT OF CYSTIC FIBROSIS ELI LILLY AND COMPANY (US) 1999-04-08 WO claimed
WO-1999009978-A1 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS ELI LILLY AND COMPANY (US) 1999-03-04 WO claimed
WO-1997021716-A1 NAPHTHYL GLYOXAMIDES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-06-19 WO claimed
EP-0779273-A1 Naphthyl glyoxamides as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1997-06-18 EP claimed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
EP-0779273-A1 Naphthyl glyoxamides as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1997-06-18 EP disclosed
EP-0779273-A1 Naphthyl glyoxamides as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1997-06-18 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-20030087944-A1 Method for the treatment of renal dysfunction with spla2 inhibitors IDO2, SPINT2, IDO1 KDM4E 3856/4885GAA 1571/4885RAB9A 4212/4885
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS TPP2, PLAAT2, PLAA KDM4E 2708/4885GAA 685/4885RAB9A 2230/4885

“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.