SCHEMBL4915218

SCHEMBL4915218

Cc1c(-c2ccc(C#N)cc2)c(C#N)c(C(C)C)n1Cc1cnc(Cl)c(CO)c1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.82
PTGDR2 Q9Y5Y4 1/20 0.33
CYP11B2 P19099 1/20 0.33
CNR1 P21554 2/20 0.33
CACNA1H O95180 1/20 0.33
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
PPARD Q03181 1/20 0.32
USP1 O94782 1/20 0.32

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
SCHEMBL4920019 0.94 AR (0.81) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL14154948 0.92 AR (0.69) AR
SCHEMBL4921936 0.90 AR (1.00) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL4920807 0.89 AR (0.75) ARPTGDR2CNR1FNTAFNTB
SCHEMBL14114850 0.88 AR (0.87) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL4914410 0.86 AR (0.84) ARCYP11B2CNR1
SCHEMBL4918903 0.85 AR (0.82) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL4919567 0.85 AR (0.82) ARPTGDR2CYP11B2CNR1FNTA
SCHEMBL4922214 0.85 AR (0.89) ARPTGDR2CNR1FNTAFNTB
SCHEMBL4920911 0.84 AR (0.81) ARCYP11B2CNR1FNTAFNTB

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 1/4885PTGDR2 679/4885CYP11B2 81/4885

“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.