SCHEMBL4919002

SCHEMBL4919002

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cc(CO)c(Cl)cn1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.70
CYP11B2 P19099 3/20 0.37
FNTA P49354 4/20 0.35
FNTB P49356 4/20 0.35
PLAU P00749 1/20 0.34
CNR1 P21554 2/20 0.34
CYP11B1 P15538 1/20 0.33

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
SCHEMBL14154927 0.91 AR (0.57) AR
SCHEMBL4919998 0.83 AR (0.72) ARCYP11B2CNR1CYP11B1
SCHEMBL4917933 0.82 AR (0.53) ARCYP11B2FNTAFNTBCYP11B1
SCHEMBL4919629 0.82 AR (0.68) ARCYP11B2FNTAFNTBCNR1
SCHEMBL4921936 0.82 AR (1.00) ARCYP11B2FNTAFNTBCNR1
SCHEMBL4912037 0.80 AR (0.57) ARCYP11B2FNTAFNTBCNR1
SCHEMBL6466490 0.79 AR (0.58) ARCYP11B2CYP11B1
SCHEMBL4922214 0.77 AR (0.89) ARFNTAFNTBCNR1
SCHEMBL5359277 0.77 AR (0.61) ARCYP11B2FNTAFNTB
SCHEMBL6466150 0.76 AR (0.69) ARCYP11B2CYP11B1

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 1/4885CYP11B2 81/4885FNTA 4295/4885

“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.