SCHEMBL6469335

SCHEMBL6469335

COC(=O)c1c(-c2ccc(N)c([N+](=O)[O-])c2)c(C)n(Cc2ccccc2)c1C

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.74
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PLA2G2A P14555 2/20 0.45
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CFTR P13569 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6887722 0.90 AR (0.72) ARMAPTPLA2G2ALMNATSHR
SCHEMBL6887725 0.90 AR (0.72) ARMAPTPLA2G2ALMNATSHR
SCHEMBL6469575 0.86 AR (1.00) ARGAAMAPTPKMALDH1A1
SCHEMBL6464853 0.85 AR (0.79) ARGAAMAPTPKMALDH1A1
SCHEMBL6469587 0.83 AR (0.51) ARGAAMAPTALDH1A1LMNA
SCHEMBL6466498 0.81 AR (0.55) ARGAAMAPTALDH1A1LMNA
SCHEMBL6469535 0.79 AR (0.76) ARGAAMAPTPKMALDH1A1
SCHEMBL6469603 0.78 AR (0.81) ARGAAMAPTPKMALDH1A1
SCHEMBL6466009 0.77 AR (0.83) ARGAAMAPTPKMALDH1A1
SCHEMBL6465329 0.76 AR (1.00) ARGAAMAPTPKMLMNA

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 claimed
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

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 6/4885GAA 4752/4885MAPT 4864/4885

“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.