SCHEMBL5467693

SCHEMBL5467693

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.49
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
GLA P06280 3/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 1/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
MME P08473 1/20 0.34
MEN1 O00255 1/20 0.34
BRCA1 P38398 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5467791 0.92 AR (0.59) ARKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL22980911 0.89 KDM4E (0.46) ARKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL29659002 0.89 KDM4E (0.46) ARKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL5468175 0.88 AR (0.56) ARKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL5459183 0.83 L3MBTL1 (0.47) ARKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL5452877 0.80 AR (0.59) ARKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL29268548 0.74 KDM4E (0.45) ARKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL29659097 0.72 L3MBTL1 (0.54) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL14967240 0.72 L3MBTL1 (0.54) KDM4EALDH1A1L3MBTL1HPGDTDP1
SCHEMBL29409508 0.72 KDM4E (0.40) ARKDM4EALDH1A1L3MBTL1HPGD

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 8 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
US-20070129409-A1 Androgen receptor modulators HU LAIN-YEN 2007-06-07 US disclosed
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 AR 1/4885KDM4E 513/4885ALDH1A1 1349/4885

“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.