SCHEMBL5459183

SCHEMBL5459183

CN(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 9/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 6/20 0.39
GAA P10253 5/20 0.39
GLA P06280 3/20 0.39
TP53 P04637 1/20 0.39
AR P10275 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL29659002 0.85 KDM4E (0.46) L3MBTL1TDP1KDM4EALDH1A1MAPK1
SCHEMBL22980911 0.85 KDM4E (0.46) L3MBTL1TDP1KDM4EALDH1A1MAPK1
SCHEMBL5467693 0.83 AR (0.49) L3MBTL1TDP1KDM4EALDH1A1MAPK1
SCHEMBL5468175 0.81 AR (0.56) L3MBTL1TDP1KDM4EALDH1A1MAPK1
SCHEMBL5467791 0.81 AR (0.59) L3MBTL1TDP1KDM4EALDH1A1MAPK1
SCHEMBL5452877 0.81 AR (0.59) L3MBTL1TDP1KDM4EALDH1A1MAPK1
SCHEMBL14967240 0.79 L3MBTL1 (0.54) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL29659097 0.79 L3MBTL1 (0.54) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL29409508 0.78 KDM4E (0.40) L3MBTL1TDP1KDM4EALDH1A1MAPK1
SCHEMBL1624009 0.78 KDM4E (0.40) L3MBTL1TDP1KDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129409-A1 Androgen receptor modulators HU LAIN-YEN 2007-06-07 US claimed
EP-1687274-A1 ANDROGEN RECEPTOR MODULATORS Warner-Lambert Company LLC (US) 2006-08-09 EP claimed
WO-2005049574-A1 ANDROGEN RECEPTOR MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed
US-20070129409-A1 Androgen receptor modulators HU LAIN-YEN 2007-06-07 US disclosed
EP-1687274-A1 ANDROGEN RECEPTOR MODULATORS Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049574-A1 ANDROGEN RECEPTOR MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO 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-20070129409-A1 Androgen receptor modulators AR, FSHR, NR5A1 L3MBTL1 4293/4885TDP1 3390/4885KDM4E 513/4885

“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.