SCHEMBL3489563

SCHEMBL3489563

Cc1nn(CC(F)F)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 8/20 0.43
ALDH1A1 P00352 3/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
MAPT P10636 2/20 0.39
SLC2A1 P11166 1/20 0.37
GAA P10253 1/20 0.36
TGFBR1 P36897 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL3488743 0.90 PGR (0.47) SLC34A1ALDH1A1PGRNR3C2AR
SCHEMBL3488467 0.87 ALDH1A1 (0.37) SLC34A1ALDH1A1PGRNR3C2AR
SCHEMBL3487876 0.87 ALDH1A1 (0.39) SLC34A1ALDH1A1PGRNR3C2AR
SCHEMBL3488513 0.86 ALDH1A1 (0.39) SLC34A1ALDH1A1PGRNR3C2AR
SCHEMBL3488119 0.86 CSNK2A1 (0.43) SLC34A1ALDH1A1PGRNR3C2AR
SCHEMBL3488030 0.85 NR3C2 (0.38) SLC34A1ALDH1A1PGRNR3C2AR
SCHEMBL3489611 0.84 MAPT (0.52) SLC34A1ALDH1A1PGRNR3C2MAPT
SCHEMBL3489982 0.82 SLC2A1 (0.54) PGRNR3C2ARMAPTSLC2A1
SCHEMBL3488750 0.82 PGR (0.47) SLC34A1ALDH1A1PGRNR3C2AR
SCHEMBL3488809 0.82 ALDH1A1 (0.39) SLC34A1ALDH1A1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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 (1 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 SLC34A1 982/4885ALDH1A1 1704/4885PGR 107/4885

“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.