SCHEMBL4175396

SCHEMBL4175396

Cc1ccc(F)c(Oc2c(Cl)cccc2C#N)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.39
BCAT2 O15382 1/20 0.38
BCAT1 P54687 1/20 0.38
HTR1A P08908 3/20 0.36
SLC6A2 P23975 3/20 0.36
AR P10275 5/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
DYRK1A Q13627 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4168823 0.78 AR (0.46) SLC22A12BCAT2BCAT1ARTSHR
SCHEMBL3641787 0.74 VCAM1 (0.42) SLC22A12TSHRMAPTNPSR1ALDH1A1
SCHEMBL13875515 0.72 AR (0.57) SLC22A12AR
SCHEMBL3024288 0.71 SLC22A12 (0.38) SLC22A12BCAT2BCAT1ARMEN1
SCHEMBL27659861 0.71 L3MBTL1 (0.44) SLC22A12TSHRMAPTKDM4EALDH1A1
SCHEMBL3031268 0.70 CYP3A4 (0.53) SLC22A12
SCHEMBL8433030 0.70 SLC22A12 (0.38) SLC22A12ARTSHRKDM4EALDH1A1
SCHEMBL6177741 0.69 AR (0.51) SLC22A12BCAT2BCAT1HTR1ASLC6A2
SCHEMBL379458 0.69 TSHR (0.60) BCAT1ARTSHRMAPTNPSR1
SCHEMBL31287961 0.69 TSHR (0.60) BCAT1ARTSHRMAPTNPSR1

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
EP-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP claimed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 WO claimed
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 SLC22A12 3958/4885BCAT2 1186/4885BCAT1 1241/4885

“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.