SCHEMBL3489455

SCHEMBL3489455

CCC(O)CCn1nc(C)c(Br)c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SLC34A1 Q06495 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
NR3C2 P08235 4/20 0.36
PGR P06401 3/20 0.36
MAPK14 Q16539 2/20 0.35
CSNK2A1 P68400 2/20 0.35
AR P10275 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL3488871 0.90 CSNK2A1 (0.41) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3488119 0.87 CSNK2A1 (0.43) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3488467 0.85 ALDH1A1 (0.37) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3490106 0.85 ALDH1A1 (0.37) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3488802 0.85 MAPT (0.36) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3488750 0.84 PGR (0.47) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3488964 0.82 MAPK14 (0.42) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3489968 0.81 NR3C2 (0.48) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3488809 0.81 ALDH1A1 (0.39) ALDH1A1SLC34A1MAPTGAANR3C2
SCHEMBL3489611 0.81 MAPT (0.52) ALDH1A1SLC34A1MAPTGAANR3C2

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 ALDH1A1 1704/4885SLC34A1 982/4885MAPT 2903/4885

“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.