SCHEMBL6465153

SCHEMBL6465153

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccc(C#N)cc2)c1C

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.76
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL6469319 0.89 AR (0.84) ARMAPTLMNA
SCHEMBL6464439 0.88 AR (0.82) ARMAPTLMNASMN1; SMN2
SCHEMBL6468233 0.87 AR (0.81) ARMAPTLMNA
SCHEMBL6466429 0.87 AR (0.92) AR
SCHEMBL6465329 0.87 AR (1.00) ARMAPTLMNASMN1; SMN2
SCHEMBL6466415 0.86 AR (0.79) ARMAPTMAPK1
SCHEMBL6468354 0.85 AR (0.78) ARMAPTLMNA
SCHEMBL6530921 0.85 AR (0.78) ARMAPTSMN1; SMN2MAPK1
SCHEMBL6466389 0.85 AR (0.81) ARMAPTLMNA
SCHEMBL6464892 0.84 AR (0.76) ARMAPTLMNA

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-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 6/4885MAPT 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.