SCHEMBL4915699

SCHEMBL4915699

CCOC(=O)c1cc(Cn2c(C)c(-c3ccc(C#N)cc3)c(C#N)c2I)cnc1Cl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.58
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FNTA P49354 5/20 0.41
FNTB P49356 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4911697 0.93 AR (0.67) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4919894 0.90 AR (0.58) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4909878 0.88 AR (0.56) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4917902 0.88 AR (0.59) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4921363 0.88 AR (0.56) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4920123 0.88 AR (0.56) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4919103 0.87 AR (0.56) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4911754 0.87 AR (0.56) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4919599 0.87 AR (0.56) ARMAPTLMNATSHRSMN1; SMN2
SCHEMBL4912054 0.87 AR (0.56) ARMAPTLMNATSHRSMN1; SMN2

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 5 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
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 4670/4885LMNA 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.