SCHEMBL6464142

SCHEMBL6464142

Cc1c(C(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.70
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNJ1 P48048 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6469722 0.83 AR (1.00) ARMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6466355 0.82 AR (1.00) ARMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6469638 0.81 AR (0.83) ARMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6466983 0.79 AR (0.79) ARMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6469575 0.79 AR (1.00) ARALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6469582 0.79 AR (0.79) ARMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6465329 0.79 AR (1.00) ARPOLBMAPTLMNASMN1; SMN2
SCHEMBL6464947 0.78 AR (0.76) ARPOLBLMNASMN1; SMN2
SCHEMBL6466205 0.77 AR (0.79) ARPOLBMAPTLMNASMN1; SMN2
SCHEMBL4205050 0.76 AR (0.66) ARL3MBTL1SMN1; 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 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 6/4885POLB 3507/4885ATM 2400/4885

“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.