SCHEMBL3489605

SCHEMBL3489605

Cc1nn(Cc2ccsc2)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NR3C2 P08235 3/20 0.36
PGR P06401 2/20 0.36
AR P10275 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34

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
SCHEMBL3489982 0.85 SLC2A1 (0.54) SLC2A1NR1H2NR1H3MAPTNR3C2
SCHEMBL3488270 0.82 PGR (0.49) SLC2A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL3488088 0.82 SLC2A1 (0.50) SLC2A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL3488787 0.81 NR3C2 (0.50) SLC2A1NR1H2NR1H3MAPTNR3C2
SCHEMBL3489954 0.79 MAPT (0.39) SLC2A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL3488754 0.78 L3MBTL1 (0.47) NR1H2NR1H3MAPTALDH1A1NR3C2
SCHEMBL3488094 0.78 SLC2A1 (0.40) SLC2A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL3489611 0.77 MAPT (0.52) SLC2A1NR1H2NR1H3MAPTALDH1A1
SCHEMBL3489593 0.77 PGR (0.53) SLC2A1NR1H2NR1H3ALDH1A1NR3C2
SCHEMBL3488703 0.75 ALDH1A1 (0.41) SLC2A1NR1H2NR1H3MAPTALDH1A1

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 SLC2A1 3141/4885NR1H2 245/4885NR1H3 295/4885

“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.