SCHEMBL2141218

SCHEMBL2141218

O=C(O)CCc1cccc2c1C(=O)NC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.49
▸ PTGER4 P35408 4/20 0.49
▸ PTGER3 P43115 4/20 0.49
▸ PTGER2 P43116 4/20 0.49
▸ PARP1 P09874 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CASP3 P42574 4/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ZAP70 P43403 1/20 0.41

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
SCHEMBL8853244 0.91 KDM4E (0.43) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL8693038 0.86 KDM4E (0.44) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL5970012 0.84 GSK3B (0.50) PARP1KDM4EALDH1A1GAAHPGD
SCHEMBL8853131 0.83 KDM4E (0.47) PARP1KDM4EALDH1A1GAAHPGD
SCHEMBL8853391 0.83 ALDH1A1 (0.42) PARP1KDM4EALDH1A1GAAHPGD
SCHEMBL1424202 0.81 KDM4E (0.45) PARP1KDM4EALDH1A1GAAHPGD
Bicarbonate SCHEMBL29212760 0.80 KDM4E (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL31474424 0.80 ALDH1A1 (0.49) PARP1KDM4EALDH1A1GAAHPGD
Water SCHEMBL10733874 0.80 KDM4E (0.44) PARP1KDM4EALDH1A1GAAHPGD
SCHEMBL11015946 0.80 GSK3B (0.45) PARP1KDM4EALDH1A1GAAHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 — — US disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 — — WO disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 — — US disclosed
EP-1778641-A1 5-HT7 RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-02 — — EP disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 — — US disclosed
EP-1630159-A1 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-01 — — EP disclosed
US-20060040977-A1 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-23 — — US disclosed
WO-2006018309-A1 5-HT7 RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-23 — — WO disclosed
US-5688434-A BLEACHING TEXTILES BY APPLYING BLEACHING AGENT AUSIMONT S.P.A. (IT) 1997-11-18 — — US disclosed
US-5575947-A BLEACH AUSIMONT S.R.L. (IT) 1996-11-19 — — US disclosed
US-5567411-A ADMINISTERING TO A WARM-BLOODED ANIMAL TO OBTAIN A MAGNETIC RESONANCE IMAGE OF SUBJECT STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1996-10-22 — — US disclosed
US-5520844-A Imide-aromatic peroxyacids as bleaching agents AUSIMONT S.P.A. (IT) 1996-05-28 — — US 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-20090088450-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A PTGER1 191/4885PTGER4 266/4885PTGER3 232/4885
US-20060040977-A1 5-HT7 receptor ligands HTR7, HTR1A, HTR5A PTGER1 224/4885PTGER4 302/4885PTGER3 265/4885

“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.

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