SCHEMBL4910684

SCHEMBL4910684

CCOC(=O)c1cc(Cn2c(C)c(-c3ccc(C#N)cc3)c(C(=O)OC)c2C(F)(F)F)cnc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.52
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
P2RY12 Q9H244 1/20 0.38
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PDE5A O76074 1/20 0.37
KCNH2 Q12809 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36

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
SCHEMBL4917879 0.93 AR (0.49) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4919103 0.90 AR (0.56) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4921240 0.87 AR (0.64) ARLMNATDP1HSP90AA1HSP90B1
SCHEMBL4913951 0.83 AR (0.50) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4911697 0.83 AR (0.67) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4920793 0.83 AR (0.45) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4915856 0.81 AR (0.53) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4919894 0.80 AR (0.58) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4915699 0.80 AR (0.58) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4914113 0.80 AR (0.66) ARTDP1FNTAFNTB

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 1 patent. 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

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 4670/4885LMNA 4414/4885

“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.