SCHEMBL972236

SCHEMBL972236

CCOC(=O)/C(=N\Nc1ccccc1Cl)C(=O)C(Br)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 2/20 0.48
ATM Q13315 2/20 0.48
MAPT P10636 7/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ABCB1 P08183 1/20 0.46
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.42
KYAT1 Q16773 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL5551834 1.00 GAA (0.50) GAATP53NPC1ATMMAPT
SCHEMBL972237 1.00 GAA (0.50) GAATP53NPC1ATMMAPT
SCHEMBL8188460 1.00 GAA (0.50) GAATP53NPC1ATMMAPT
SCHEMBL8190181 0.79 GAA (0.53) GAATP53NPC1ATMMAPT
SCHEMBL973145 0.79 GAA (0.53) GAATP53NPC1ATMMAPT
SCHEMBL973146 0.79 GAA (0.53) GAATP53NPC1ATMMAPT
SCHEMBL218432 0.75 GAA (0.64) GAATP53NPC1ATMMAPT
SCHEMBL218433 0.75 GAA (0.64) GAATP53NPC1ATMMAPT
SCHEMBL7943758 0.74 GAA (0.62) GAATP53NPC1ATMMAPT
SCHEMBL7877752 0.74 GAA (0.62) GAATP53NPC1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
US-20070260056-A1 Process for Preparing Bicyclic Pyrazolyl BRANDT THOMAS A 2007-11-08 US disclosed
WO-2007046550-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER INC 2007-02-01 US disclosed
US-7151097-B2 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. (US) 2006-12-19 US disclosed
EP-1682554-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF Pfizer Products Incorporated (US) 2006-07-26 EP disclosed
WO-2005044822-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-05-19 WO disclosed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 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 (4 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-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF CNR2, CNR1, GPR18 GAA 3711/4885TP53 4868/4885NPC1 669/4885
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 GAA 4860/4885TP53 4559/4885NPC1 2135/4885
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof CNR2, CNR1, GPR18 GAA 3711/4885TP53 4868/4885NPC1 669/4885
US-20070260056-A1 Process for Preparing Bicyclic Pyrazolyl CNR1, CNR2, GPR18 GAA 2367/4885TP53 4860/4885NPC1 420/4885

“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.