SCHEMBL4265653

SCHEMBL4265653

COc1ccc(-n2c(-c3ccccc3)cc(C(=O)O)c2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.58
CHRNA7 P36544 3/20 0.56
NOTUM Q6P988 3/20 0.54
RPA1 P27694 1/20 0.54
THRB P10828 1/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPT P10636 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
TP53 P04637 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL27327361 0.91 PLK1 (0.56) PLK1CHRNA7RPA1THRBALDH1A1
SCHEMBL2449412 0.87 PLK1 (0.73) PLK1CHRNA7NOTUMALDH1A1MAPT
SCHEMBL5922429 0.86 CHRNA7 (0.73) CHRNA7THRBALDH1A1MAPTL3MBTL1
SCHEMBL5922310 0.85 THRB (0.63) PLK1CHRNA7THRBALDH1A1MAPT
SCHEMBL4272028 0.85 PLK1 (0.53) PLK1CHRNA7NOTUMTHRBALDH1A1
SCHEMBL27535987 0.83 PLK1 (0.60) PLK1CHRNA7NOTUMALDH1A1MAPT
SCHEMBL2211020 0.83 NOTUM (0.67) PLK1CHRNA7NOTUMALDH1A1MEN1
SCHEMBL5922325 0.83 NOTUM (0.67) PLK1CHRNA7NOTUMALDH1A1
SCHEMBL5922335 0.83 CA2 (0.58) PLK1CHRNA7THRBALDH1A1L3MBTL1
SCHEMBL1981311 0.81 NOTUM (0.74) NOTUMALDH1A1MAPTNPSR1MEN1

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
CN-1753668-A 1, 5-diaryl pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-03-29 CN claimed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
US-20060198893-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble pyrrole carboxamide and excipient like middle chain triglycerides ASTRAZENECA AB (SE) 2006-09-07 US disclosed
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-06-08 US disclosed
CN-1753668-A 1, 5-diaryl pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-03-29 CN disclosed
EP-1592404-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE PYRROLE CARBOXAMIDE AND AN EXCIPIENT LIKE MIDDLE CHAIN TRIGLYCERIDES AstraZeneca AB (SE) 2005-11-09 EP disclosed
EP-1578417-A1 1,5-DIARYL-PYRROLE-3-CARBOXAMIDE DERIVATIVES AND THEIR USE AS CANNABINOID RECEPTOR MODULATORS AstraZeneca AB (SE) 2005-09-28 EP disclosed
WO-2004069227-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE PYRROLE CARBOXAMIDE AND EXCIPIENT LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2004058249-A1 1,5-DIARYL-PYRROLE-3-CARBOXAMIDE DERIVATIVES AND THEIR USE AS CANNABINOID RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-07-15 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-20060198893-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble pyrrole carboxamide and excipient like middle chain triglycerides CETP, PNLIP, LIPC PLK1 1060/4885CHRNA7 4278/4885NOTUM 19/4885
US-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 PLK1 3918/4885CHRNA7 3284/4885NOTUM 2828/4885
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators CNR1, CNR2, GPR18 PLK1 4623/4885CHRNA7 146/4885NOTUM 2381/4885

“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.