SCHEMBL6469575

SCHEMBL6469575

COC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccccc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 1.00
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G2A P14555 1/20 0.47

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
SCHEMBL6465329 0.90 AR (1.00) ARGAAMAPTSMN1; SMN2MEN1
SCHEMBL6469722 0.89 AR (1.00) ARMAPTSMN1; SMN2HTTKMT2A
SCHEMBL6464853 0.88 AR (0.79) ARGAAMAPTSMN1; SMN2MEN1
SCHEMBL6466205 0.88 AR (0.79) ARMAPTSMN1; SMN2MEN1HTT
SCHEMBL6466355 0.87 AR (1.00) ARMAPTSMN1; SMN2MEN1HTT
SCHEMBL6469582 0.87 AR (0.79) ARMAPTSMN1; SMN2HTTKMT2A
SCHEMBL6469638 0.86 AR (0.83) ARMAPTSMN1; SMN2HTTKMT2A
SCHEMBL6466429 0.86 AR (0.92) ARMEN1KMT2A
SCHEMBL6469335 0.86 AR (0.74) ARGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6464947 0.85 AR (0.76) ARSMN1; SMN2MEN1KMT2ALMNA

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 6/4885GAA 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.