SCHEMBL4911735

SCHEMBL4911735

CCOC(=O)c1cc(Cn2c(C)c(C#N)c(-c3ccc(C#N)cc3)c2CC)cnc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.57
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 6/20 0.42
FNTB P49356 6/20 0.42
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4919894 0.94 AR (0.58) ARMAPTTDP1LMNATSHR
SCHEMBL14154973 0.92 AR (0.47) ARMAPTTDP1LMNATSHR
SCHEMBL4911697 0.92 AR (0.67) ARMAPTTDP1LMNATSHR
SCHEMBL4921363 0.89 AR (0.56) ARMAPTTDP1LMNATSHR
SCHEMBL4912054 0.88 AR (0.56) ARMAPTTDP1LMNATSHR
SCHEMBL4911754 0.88 AR (0.56) ARMAPTTDP1LMNATSHR
SCHEMBL4917888 0.88 AR (0.55) ARMAPTTDP1LMNATSHR
SCHEMBL4914039 0.88 AR (0.55) ARMAPTTDP1LMNATSHR
SCHEMBL4915699 0.87 AR (0.58) ARMAPTTDP1LMNATSHR
SCHEMBL4911672 0.87 AR (0.54) ARMAPTTDP1LMNATSHR

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 1/4885MAPT 4670/4885TDP1 3562/4885

“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.