SCHEMBL5067887

SCHEMBL5067887

CCOc1cccc(COS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
DHFR P00374 1/20 0.45
PTPN1 P18031 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
BCHE P06276 1/20 0.43
KAT6A Q92794 1/20 0.42

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
SCHEMBL2617478 0.86 MAOB (0.57) SMN1; SMN2BCHENPC1RAB9AFFAR1
SCHEMBL1573205 0.84 TSHR (0.45) BCHELMNATSHRIDO1AGXT
SCHEMBL16097270 0.84 FFAR1 (0.46) MRGPRX4BCHENPC1RAB9AIDO1
SCHEMBL15924325 0.84 GGPS1 (0.54) DHFRTSHR
SCHEMBL15923314 0.84 GGPS1 (0.54) DHFRTSHR
SCHEMBL16318843 0.83 PPARA (0.60) CA1CA2CA9TSHR
SCHEMBL5636631 0.83 IDO1 (0.59) CHRM2CHRM1CHRM3IDO1AGXT
SCHEMBL3593702 0.83 IDO1 (0.46) PTPN1CA1CA2CA9IDO1
SCHEMBL9861064 0.83 SMN1; SMN2 (0.46) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL1662777 0.83 KDM4E (0.44) MRGPRX4IDO1AGXTFFAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound TANABE SEIYAKU CO., LTD. (JP) 2008-04-03 US disclosed
EP-1772454-A1 NITROGENOUS FUSED BICYCLIC COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 EP 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-20080081817-A1 Nitrogenous Fused Bicyclic Compound KCNH2, KCNN2, KCNN1 CHRM2 194/4885CHRM1 179/4885CHRM3 218/4885

“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.