SCHEMBL4156505

SCHEMBL4156505

CC(C)(C)c1ccc(-c2noc(CN(CC(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
AR P10275 4/20 0.41
PGR P06401 1/20 0.41
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KLF5 Q13887 1/20 0.40
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 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
SCHEMBL4145663 0.93 S1PR1 (0.44) ARPGRSMN1; SMN2MAPTLMNA
SCHEMBL4153657 0.89 AR (0.40) RAB9ANPC1ALDH1A1ARPGR
SCHEMBL4150659 0.88 AR (0.48) RAB9ANPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL4158085 0.87 S1PR1 (0.41) CYP1A2CYP2C19ARPGRTP53
SCHEMBL4146890 0.86 AR (0.43) TSHRARPGRSMN1; SMN2MAPT
SCHEMBL4147167 0.85 S1PR1 (0.44) RAB9ANPC1ALDH1A1ARPGR
SCHEMBL4156862 0.84 AR (0.38) ARPGRS1PR1
SCHEMBL4146941 0.82 ALDH1A1 (0.44) RAB9ANPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL4145871 0.81 AR (0.48) ARPGR
SCHEMBL4151095 0.80 NPC1 (0.44) RAB9ANPC1ALDH1A1TSHRAR

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 5 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
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 RAB9A 4816/4885NPC1 845/4885CYP1A2 191/4885

“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.