SCHEMBL6535697

SCHEMBL6535697

NNC(=O)n1ccc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
TFPI2 P48307 1/20 0.42
NPY4R P50391 1/20 0.42
MAPK1 P28482 2/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
IDH2 P48735 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL29629999 1.00 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL27480047 0.83 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL29373439 0.81 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL6374063 0.81 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL28651838 0.81 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL28702886 0.79 TSHR (0.57) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL29370778 0.79 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL3649822 0.79 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL10477477 0.78 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1GAA
SCHEMBL1151123 0.78 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1GAA

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 50 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-0772592-B1 1H-INDOLE-1-FUNCTIONAL sPLA 2 INHIBITORS LILLY CO ELI (US) 2003-05-02 EP 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
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
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
EP-0772592-A4 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS LILLY CO ELI (US) 1998-07-08 EP claimed
US-5641800-A ALLEVIATE EFFECT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, AND RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1997-06-24 US claimed
EP-0772592-A1 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP claimed
WO-1996003376-A1 1H-INDOLE-1-FUNCTIONAL sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO claimed
CN-113278020-B Pityriacitrin alkaloid derivative containing acylthiourea structure and preparation method and application thereof 河北工业大学 2022-07-12 CN disclosed
EP-0772592-A1 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003376-A1 1H-INDOLE-1-FUNCTIONAL sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 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-20030087944-A1 Method for the treatment of renal dysfunction with spla2 inhibitors IDO2, SPINT2, IDO1 NOTUM 1158/4885TSHR 4056/4885RAB9A 4212/4885
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS TPP2, PLAAT2, PLAA NOTUM 398/4885TSHR 708/4885RAB9A 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.