SCHEMBL1759226

SCHEMBL1759226

COC(=O)c1cc(Cl)c2[nH]c(C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 3/20 0.38
XDH P47989 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 1/20 0.38

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
SCHEMBL6170453 0.85 KDM4E (0.45) RHEBKDM4EALDH1A1CA12CA1
SCHEMBL1758953 0.83 TDP1 (0.50) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL21820579 0.82 XDH (0.50) RHEBKDM4EALDH1A1CA12CA1
SCHEMBL13601846 0.76 NQO2 (0.40) RHEBKDM4EALDH1A1LMNAGAA
SCHEMBL15971362 0.76 KDM4E (0.41) RHEBKDM4EALDH1A1CA12CA1
SCHEMBL15971150 0.74 ALDH1A1 (0.42) RHEBKDM4EALDH1A1CA12CA1
SCHEMBL1285923 0.73 KDM4E (0.43) KDM4EALDH1A1LMNAPOLBGFER
SCHEMBL5032566 0.73 HSP90AA1 (0.53) RHEBKDM4EALDH1A1CA12CA1
SCHEMBL1286353 0.73 ALDH1A1 (0.41) KDM4EALDH1A1TDP1POLBHTT
SCHEMBL4715517 0.72 LMNA (0.52) ALDH1A1LMNAL3MBTL1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
EP-2676958-B1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-01 EP disclosed
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8802690-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
EP-2676958-A1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors Pfizer Inc. (US) 2013-12-25 EP disclosed
EP-2499139-B1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2013-12-11 EP disclosed
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. 2013-11-07 US disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
US-8288405-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-10-16 US disclosed
EP-2499139-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
EP-2499140-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 US disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 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 (5 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-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB RHEB 1021/4885KDM4E 1385/4885ALDH1A1 164/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB RHEB 1021/4885KDM4E 1385/4885ALDH1A1 164/4885
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB RHEB 1038/4885KDM4E 1311/4885ALDH1A1 161/4885
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB RHEB 1021/4885KDM4E 1385/4885ALDH1A1 164/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB RHEB 1044/4885KDM4E 1533/4885ALDH1A1 259/4885

“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.