SCHEMBL4920907

SCHEMBL4920907

COC(=O)c1cc(Cn2c(C)c(C#N)c(-c3ccc(C#N)cc3)c2C)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.62
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL14154947 0.91 AR (0.51) ARGAANPSR1L3MBTL1LMNA
SCHEMBL4918835 0.89 AR (0.49) ARGAANPSR1L3MBTL1KLKB1
SCHEMBL4917933 0.83 AR (0.53) ARCYP11B1CYP11B2KDM4EFNTA
SCHEMBL4919998 0.80 AR (0.72) ARCYP11B1CYP11B2KLKB1KLK1
SCHEMBL6468889 0.80 AR (0.86) ARCYP11B1CYP11B2KDM4ETSHR
SCHEMBL4915687 0.80 AR (0.53) ARCYP11B1CYP11B2MAPTFNTA
SCHEMBL5246478 0.80 AR (0.59) ARKLKB1KLK1LMNAMAPT
SCHEMBL6469782 0.80 AR (0.74) ARGAACYP11B1CYP11B2KLKB1
SCHEMBL6465312 0.80 AR (0.89) ARCYP11B1CYP11B2LMNAKDM4E
SCHEMBL4915912 0.79 AR (0.62) ARCYP11B1CYP11B2KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 WO 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885GAA 4875/4885NPSR1 166/4885

“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.