SCHEMBL4447478

SCHEMBL4447478

O=C(O)c1cc(Cl)cnc1Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
LMNA P02545 1/20 0.44
NR4A2 P43354 1/20 0.44
MAOB P27338 1/20 0.43
HIF1A Q16665 1/20 0.43
CTBP2 P56545 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 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
SCHEMBL4448337 0.88 BRS3 (0.47) BRS3HCAR2NR4A2ALDH1A1SMN1; SMN2
SCHEMBL4453119 0.84 BRS3 (0.49) BRS3ADRA1D
SCHEMBL4443104 0.84 KDM4C (0.51) BRS3ALDH1A1KMT2ASMN1; SMN2APEX1
SCHEMBL4447411 0.84 LMNA (0.46) LMNAMAOBMAPTKMT2AMEN1
SCHEMBL4446740 0.80 PTGER4 (0.47) BRS3KDM4C
SCHEMBL4447338 0.79 PTGER4 (0.69)
SCHEMBL3981413 0.78 RXRA (0.56) RXRARXRBRXRGNR4A2MAOB
SCHEMBL5367116 0.76 HCAR2 (0.50) BRS3HCAR2RXRARXRBRXRG
SCHEMBL11823917 0.75 RORB (0.49) HCAR2CSNK2A2CSNK2BLMNAMAPT
SCHEMBL21463399 0.75 ALDH1A1 (0.41) HCAR2LMNAMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663979-B1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2013-10-09 EP disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1663979-A1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER INC. (US) 2006-06-07 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
US-20050065188-A1 Aryl or heteroaryl amide compounds ASKAT INC. (JP) 2005-03-24 US disclosed
WO-2005021508-A1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER INC. (US) 2005-03-10 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-20050065188-A1 Aryl or heteroaryl amide compounds HRH2, PTGER1, LTB4R2 BRS3 512/4885HCAR2 122/4885CSNK2A2 1534/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 BRS3 257/4885HCAR2 214/4885CSNK2A2 268/4885

“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.