SCHEMBL4290010

SCHEMBL4290010

CCOC(=O)c1cc(Br)c2c(c1)NC(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPT P10636 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NR3C2 P08235 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
MDH2 P40926 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL28998391 0.86 ALDH1A1 (0.44) TSHRMAPTALDH1A1NR3C2RXFP1
SCHEMBL4290971 0.81 ALDH1A1 (0.41) MAPTALDH1A1NR3C2RXFP1PARP1
SCHEMBL4286907 0.80 GAA (0.44) MAPTALDH1A1NR3C2LMNAPDE3B
SCHEMBL4291156 0.79 ALDH1A1 (0.44) TSHRMAPTALDH1A1NR3C2RXFP1
SCHEMBL2954111 0.77 MAPT (0.62) TSHRMAPTALDH1A1RXFP1PARP1
SCHEMBL4289231 0.77 ALDH1A1 (0.36) MAPTALDH1A1NR3C2RXFP1L3MBTL1
SCHEMBL26123253 0.75 PARP1 (0.48) TSHRMAPTALDH1A1RXFP1L3MBTL1
SCHEMBL2815940 0.75 MAPT (0.49) MAPTCA12CA1CA2CA7
SCHEMBL16744331 0.73 CA12 (0.41) TSHRMAPTCA12CA1CA2
SCHEMBL4296049 0.73 ALDH1A1 (0.40) TSHRMAPTALDH1A1RXFP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R TSHR 187/4885MAPT 4442/4885CA12 1710/4885

“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.