SCHEMBL6468905

SCHEMBL6468905

COC(=O)c1c(C)[nH]c(C)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 6/20 0.50
POLB P06746 1/20 0.50
NR4A2 P43354 1/20 0.47
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 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
SCHEMBL13488596 0.78 NPSR1 (0.66) NPSR1ALDH1A1KMT2ALMNAPOLB
SCHEMBL7290595 0.77 NPSR1 (0.53) NPSR1ALDH1A1KMT2ALMNAPOLB
SCHEMBL7293758 0.77 LMNA (0.56) NPSR1ALDH1A1KMT2ALMNAPOLB
SCHEMBL5369931 0.76 ALDH1A1 (0.40) NPSR1ALDH1A1KMT2ALMNAPOLB
SCHEMBL8380519 0.74 CA1 (0.48) NPSR1ALDH1A1KMT2ALMNAPOLB
SCHEMBL29049264 0.74 CA12 (0.48) NPSR1ALDH1A1KMT2AGAATSHR
SCHEMBL4804422 0.73 SMN1; SMN2 (0.68) NPSR1ALDH1A1KMT2ALMNAPOLB
SCHEMBL14011276 0.73 NPSR1 (0.50) NPSR1ALDH1A1KMT2ALMNATSHR
SCHEMBL7290662 0.73 LMNA (0.57) NPSR1ALDH1A1KMT2ALMNAPOLB
SCHEMBL31306912 0.72 CA12 (0.46) NPSR1ALDH1A1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022098544-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-05-12 WO disclosed
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-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 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 NPSR1 13/4885ALDH1A1 2144/4885KMT2A 2015/4885

“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.