SCHEMBL1990423

SCHEMBL1990423

CC(C)(O)c1ccc(CBr)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.39
NR1H4 Q96RI1 6/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
AR P10275 3/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
DRD1 P21728 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL27894448 0.86 EPHX2 (0.38) EPHX2NR1H4KMT2AMEN1AR
SCHEMBL4517620 0.85 CYP2C19 (0.43) EPHX2NR1H4KMT2AMEN1AR
SCHEMBL4831766 0.81 PNMT (0.41) EPHX2NR1H4KMT2AMEN1AR
SCHEMBL9346997 0.80 EPHX2 (0.39) EPHX2NR1H4KMT2AMEN1AR
SCHEMBL9064202 0.80 AKR1C3 (0.44) EPHX2NR1H4CYP2C19
SCHEMBL27061385 0.78 CHEK1 (0.34) KMT2AMEN1ARESR1CYP3A4
SCHEMBL3208015 0.77 PDE2A (0.49) MAPTSLC6A2SLC6A4KCNH2PDE2A
SCHEMBL135004 0.77 KLF10 (0.36) KMT2AMEN1ESR1CYP3A4CASP1
SCHEMBL9342887 0.76 EPHX2 (0.36) EPHX2NR1H4KMT2AMEN1AR
SCHEMBL10600692 0.76 TSHR (0.56) KMT2AMEN1ARTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
EP-2513096-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-A MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
WO-2011075565-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-Aα MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R EPHX2 4352/4885NR1H4 287/4885KMT2A 1749/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R EPHX2 4352/4885NR1H4 287/4885KMT2A 1749/4885

“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.