SCHEMBL3488754

SCHEMBL3488754

Cc1nn(Cc2cccs2)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
FYN P06241 1/20 0.38
ALDH1A1 P00352 6/20 0.37
USP2 O75604 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H2 P55055 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
SCHEMBL3488781 0.81 MAPT (0.38) MAPTALDH1A1NR1H2NR1H3NR3C2
SCHEMBL3489982 0.80 SLC2A1 (0.54) POLBMAPTNR1H2NR1H3NR3C2
SCHEMBL3488270 0.79 PGR (0.49) POLBMAPTGAAALDH1A1CYP1A2
SCHEMBL3489231 0.79 MAPT (0.38) MAPTALDH1A1NR1H2NR1H3NR3C2
SCHEMBL3488787 0.78 NR3C2 (0.50) MAPTNR1H2NR1H3NR3C2PGR
SCHEMBL3489605 0.78 SLC2A1 (0.40) MAPTALDH1A1NR1H2NR1H3NR3C2
SCHEMBL3489611 0.77 MAPT (0.52) L3MBTL1PTGS2TSHRMAPTGAA
SCHEMBL3488088 0.76 SLC2A1 (0.50) TSHRMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL3488703 0.75 ALDH1A1 (0.41) L3MBTL1PTGS2TSHRMAPTALDH1A1
SCHEMBL3488094 0.75 SLC2A1 (0.40) MAPTGAAALDH1A1LMNANR1H2

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 L3MBTL1 3052/4885PTGS1 591/4885PTGS2 737/4885

“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.