SCHEMBL6464447

SCHEMBL6464447

CCOC(=O)c1c(C)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.53
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
RIPK3 Q9Y572 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
NSD2 O96028 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL6466727 0.87 AR (0.60) ARMAPTLMNAHTTKDM4E
SCHEMBL6466211 0.85 MAPT (0.46) ARMAPTHTTKDM4EPKM
SCHEMBL6469698 0.83 AR (0.61) ARMAPTTDP1LMNATSHR
SCHEMBL6466939 0.81 AR (0.67) ARMAPTTDP1LMNATSHR
SCHEMBL6466315 0.80 AR (0.59) ARMAPTTDP1LMNATSHR
SCHEMBL6466721 0.79 AR (0.80) ARMAPTLMNAHTTKDM4E
SCHEMBL6466328 0.78 AR (0.57) ARMAPTTDP1LMNATSHR
SCHEMBL6469613 0.78 AR (0.57) ARMAPTTDP1LMNATSHR
SCHEMBL6469416 0.76 MAPT (0.51) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL6889348 0.76 AR (0.51) ARMAPTLMNAHTTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885MAPT 4864/4885TDP1 4799/4885

“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.