SCHEMBL3230868

SCHEMBL3230868

O=C(O)Cc1ccn2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.47
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
NSD2 O96028 1/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KMT2A Q03164 2/20 0.40
CDC25A P30304 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 4/20 0.39
APEX1 P27695 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL8916169 0.89 AKR1B1 (0.50) AKR1B1TDP1POLBNSD2GRK2
SCHEMBL10767518 0.82 KEAP1 (0.46) APEX1HPGDALDH1A1KEAP1EGFR
SCHEMBL6535020 0.80 AOC2 (0.46) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL8580324 0.80 TBXAS1 (0.52) KMT2AAPEX1ALDH1A1MEN1KEAP1
SCHEMBL7169638 0.76 BAZ2B (0.39) KMT2AKDM4EHPGDALDH1A1MEN1
SCHEMBL4771821 0.76 ALDH1A1 (0.36) POLBKMT2AKDM4EHPGDALDH1A1
SCHEMBL9934174 0.76 ALOX15 (0.36) KMT2AKDM4EHPGDALDH1A1MEN1
SCHEMBL7173658 0.75 MAPT (0.51) TDP1POLBKMT2AKDM4EAPEX1
SCHEMBL28324455 0.73 BCL2 (0.45) KMT2AHPGDHSD17B10MEN1CYP2C9
SCHEMBL13257490 0.73 SETDB1 (0.46) KMT2AKDM4EHPGDMEN1CYP2C9

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 16 patents. 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
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY 2003-06-26 US claimed
EP-1011670-A1 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS ELI LILLY AND COMPANY (US) 2000-06-28 EP claimed
WO-1999009978-A1 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS ELI LILLY AND COMPANY (US) 1999-03-04 WO claimed
WO-2010009403-A2 METHODS FOR TREATING ARTHRITIS AND OTHER INFLAMMATORY OR AUTOIMMUNE DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-01-21 WO disclosed
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
CN-1450893-A Method for treatment of sepsis LILLY CO ELI (US) 2003-10-22 CN disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
US-6610728-B2 SPLA2 inhibitor, secretory phospholiase A2 inhibitors 1H-indole-3-glyoxylamide compound or a pharmaceutically acceptable salt, solvate, or a prodrug ELI LILLY AND COMPANY 2003-08-26 US disclosed
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY 2003-06-26 US disclosed
US-6576654-B1 Administering a 1H-indole-3-glyoxylamide derivative as secretary phopholipase A2 inhibitor ELI LILLY AND COMPANY 2003-06-10 US disclosed
US-20030092767-A1 Combination therapy for the treatment of inflammatory and respiratory diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
CN-1158121-A Indolizine sPLA2Inhibitors LILLY CO ELI (US) 1997-08-27 CN disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE 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-20030092767-A1 Combination therapy for the treatment of inflammatory and respiratory diseases SERPINB1, ELANE, SPINT2 AKR1B1 2950/4885TDP1 1174/4885POLB 560/4885
US-20030119860-A1 METHOD FOR TRATMENT OF NON-RHEUMATOID ARTHRITIS TPP2, PLAAT2, PLAA AKR1B1 1817/4885TDP1 277/4885POLB 1459/4885

“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.