SCHEMBL4154333

SCHEMBL4154333

N#Cc1ccc(N(Cc2nc(-c3ccccc3)co2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
AR P10275 12/20 0.41
PGR P06401 3/20 0.41
GAA P10253 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4147811 0.84 AR (0.44) ARPGR
SCHEMBL4150659 0.84 AR (0.48) KDM4EL3MBTL1ALDH1A1HPGDAR
SCHEMBL4151282 0.82 AR (0.46) KDM4EL3MBTL1ALDH1A1HPGDAR
SCHEMBL4150729 0.81 AR (0.44) ARPGR
SCHEMBL4154134 0.79 AR (0.53) ARPGR
SCHEMBL4145083 0.79 AR (0.47) KDM4EL3MBTL1ALDH1A1HPGDTDP1
SCHEMBL4162399 0.78 AR (0.45) ARPGR
SCHEMBL22676286 0.78 AR (0.44) ARPGR
SCHEMBL4151066 0.78 AR (0.46) ARPGR
SCHEMBL4151095 0.77 NPC1 (0.44) KDM4EALDH1A1HPGDARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 KDM4E 2095/4885L3MBTL1 4755/4885ALDH1A1 1164/4885

“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.