SCHEMBL4917436

SCHEMBL4917436

CCOC(=O)c1cc(Cn2c(C)cc(-c3ccc(C#N)cc3)c2C)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
MAPT P10636 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KLKB1 P03952 2/20 0.45
KLK1 P06870 2/20 0.45
GAA P10253 2/20 0.45
AR P10275 3/20 0.42
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
POLB P06746 3/20 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
SCHEMBL4914037 0.86 AR (0.50) TSHRMAPTTDP1LMNASMN1; SMN2
SCHEMBL6889076 0.80 AR (0.51) MAPTLMNAKLKB1KLK1AR
SCHEMBL4920077 0.77 AR (0.47) TSHRMAPTTDP1LMNASMN1; SMN2
SCHEMBL4917896 0.77 AR (0.49) TSHRMAPTTDP1LMNASMN1; SMN2
SCHEMBL4912044 0.76 AR (0.46) TSHRMAPTTDP1LMNASMN1; SMN2
SCHEMBL27944765 0.76 CYP4F2 (0.58) TSHRCYP4F2CYP4A11MAPTTDP1
SCHEMBL4915702 0.75 AR (0.47) TSHRMAPTTDP1LMNASMN1; SMN2
SCHEMBL4920907 0.75 AR (0.62) TSHRMAPTTDP1LMNASMN1; SMN2
SCHEMBL4920793 0.75 AR (0.45) TSHRMAPTTDP1LMNASMN1; SMN2
SCHEMBL5365877 0.74 ELANE (0.40) TSHRMAPTTDP1LMNASMN1; 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 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 TSHR 165/4885CYP4F2 967/4885CYP4A11 92/4885

“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.