SCHEMBL6535272

SCHEMBL6535272

NC(=O)C(=O)C1C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
HTR2A P28223 1/20 0.37
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN4A P35499 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ATM Q13315 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 3/20 0.31
PKM P14618 2/20 0.31
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL31068436 0.88 HTR6 (0.41) HTR6HTR2ATSHRLMNAMAPK1
SCHEMBL31147849 0.86 HTR6 (0.40) HTR6HTR2ATSHRLMNAMAPK1
SCHEMBL3246036 0.85 ATM (0.40) HTR6HTR2ATSHRLMNAMAPK1
Hydrochloric Acid SCHEMBL28109987 0.83 ATM (0.39) HTR6HTR2ATSHRLMNAMAPK1
SCHEMBL17183712 0.82 HTR2A (0.35) HTR6HTR2ATSHRLMNAMAPK1
SCHEMBL9309445 0.80 HTR2A (0.38) HTR6HTR2ATSHRLMNAMAPK1
SCHEMBL29401941 0.79 EDNRA (0.39) HTR6HTR2ATSHRMAPK1ATM
SCHEMBL63928 0.79 EDNRA (0.39) HTR6HTR2ATSHRMAPK1ATM
SCHEMBL3609519 0.79 HTR2A (0.36) HTR6HTR2ATSHRLMNAMAPK1
SCHEMBL27970744 0.78 HTR2A (0.37) HTR6HTR2ATSHRLMNAMAPK1

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 44 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
WO-2001066111-A1 COMPOSITIONS CONTAINING POTENTIAL SPLA2 INHIBITORS FOR THE TREATMENT OF PAIN ELI LILLY AND COMPANY (US) 2001-09-13 WO 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-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-0769940-A4 1997-06-11 EP claimed
EP-0769940-A1 INDENE sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-02 EP claimed
WO-1996003120-A1 INDENE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO claimed
EP-1011670-A4 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS LILLY CO ELI (US) 2004-10-27 EP disclosed
US-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days LOH ANDREW (US) 2004-06-10 US disclosed
EP-0769940-A1 INDENE sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-02 EP disclosed
WO-1996003120-A1 INDENE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed
WO-1996003120-A1 INDENE 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 (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-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days PLA2G12A, PLA2G2E, PLA2G3 HTR6 3251/4885HTR2A 1210/4885TSHR 4438/4885
US-20030087944-A1 Method for the treatment of renal dysfunction with spla2 inhibitors IDO2, SPINT2, IDO1 HTR6 341/4885HTR2A 35/4885TSHR 4056/4885
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS TPP2, PLAAT2, PLAA HTR6 1473/4885HTR2A 555/4885TSHR 708/4885

“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.