SCHEMBL3984097

SCHEMBL3984097

CCOC(=O)c1cc(Cl)c[n+]([O-])c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL3981911 0.84 ABL1 (0.42) TSHRCA1CA2CA12CA9
SCHEMBL11067163 0.83 CHRNA7 (0.47) BAZ2BBAZ2AMAPK1SMN1; SMN2MAPT
SCHEMBL2411311 0.73 NPSR1 (0.44) TSHRMAPK1KMT2ASMN1; SMN2MAPT
SCHEMBL11918298 0.73 TSHR (0.41) BAZ2BBAZ2ATSHRMAPK1CYP4F2
SCHEMBL235046 0.71 TSHR (0.60) BAZ2BBAZ2ATSHRMAPK1CYP4F2
SCHEMBL8659593 0.71 TSHR (0.46) BAZ2BBAZ2ATSHRMAPK1CA1
SCHEMBL12458001 0.71 TSHR (0.59) TSHRCA1CA2CA12CA9
SCHEMBL549144 0.70 MAPK1 (0.54) BAZ2BBAZ2ATSHRMAPK1CYP4F2
SCHEMBL11225504 0.70 CYP4F2 (0.67) BAZ2BBAZ2ATSHRMAPK1CYP4F2
SCHEMBL236240 0.70 CYP4F2 (0.57) BAZ2BBAZ2ATSHRMAPK1CYP4F2

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-1756042-B1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2014-02-12 EP disclosed
US-8084476-B2 Substituted methyl aryl or heteroaryl amide compounds RAQUALIA PHARMA INC. (JP) 2011-12-27 US disclosed
US-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds RAQUALIA PHARMA INC. (JP) 2009-06-25 US disclosed
US-7534914-B2 Substituted methyl aryl or heteroaryl amide compounds REQUALIA PHARMA INC. (JP) 2009-05-19 US 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
CN-1950333-A Substituted methyl aryl or heteroaryl amide compounds PFIZER (US) 2007-04-18 CN disclosed
CN-1946391-A Combinations comprising alpha-2-delta ligands PFIZER PROD INC (US) 2007-04-11 CN disclosed
EP-1756042-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PFIZER INC 2005-12-01 US disclosed
WO-2005105732-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 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-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds PTGER1, PTGER2, PTGER3 BAZ2B 928/4885BAZ2A 692/4885TSHR 1600/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 BAZ2B 928/4885BAZ2A 692/4885TSHR 1600/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 BAZ2B 3607/4885BAZ2A 3683/4885TSHR 992/4885

“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.