SCHEMBL4171293

SCHEMBL4171293

CCCC(=O)Nc1ccc(Oc2ccc(C#N)c(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.58
MTNR1A P48039 3/20 0.58
PFKFB2 O60825 6/20 0.52
PFKFB1 P16118 6/20 0.52
PFKFB3 Q16875 6/20 0.52
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
NSD2 O96028 2/20 0.46
AS3MT Q9HBK9 2/20 0.46
DOT1L Q8TEK3 1/20 0.46
NAMPT P43490 1/20 0.46
ESRRA P11474 1/20 0.46
PGR P06401 1/20 0.46
PLA2G7 Q13093 1/20 0.45

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
SCHEMBL5498764 0.87 AR (0.49) MTNR1BMTNR1APFKFB2PFKFB1PFKFB3
SCHEMBL17536366 0.85 MTNR1B (0.63) MTNR1BMTNR1APFKFB2PFKFB1PFKFB3
SCHEMBL17536369 0.84 MTNR1B (0.56) MTNR1BMTNR1APFKFB2PFKFB1PFKFB3
SCHEMBL14447210 0.75 MTNR1B (0.66) MTNR1BMTNR1AMEN1ALDH1A1HPGD
SCHEMBL22565006 0.74 JUN (0.44) MEN1LMNAKMT2APGRPLA2G7
SCHEMBL8144477 0.74 MTNR1B (1.00) MTNR1BMTNR1APGR
SCHEMBL13720660 0.73 GFER (0.48) MTNR1BMTNR1APFKFB2PFKFB1PFKFB3
SCHEMBL8144897 0.73 MTNR1B (0.75) MTNR1BMTNR1AMEN1ALDH1A1KMT2A
SCHEMBL17434515 0.73 ALDH1A1 (0.54) MEN1ALDH1A1LMNAKMT2A
SCHEMBL8145133 0.73 MTNR1B (0.74) MTNR1BMTNR1ATP53

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-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US claimed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
EP-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP disclosed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 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-20090105349-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG MTNR1B 126/4885MTNR1A 97/4885PFKFB2 3985/4885

“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.