SCHEMBL4150665

SCHEMBL4150665

N#Cc1ccc(N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPK1 P28482 2/20 0.42
AR P10275 4/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL4147167 0.86 S1PR1 (0.44) HDAC1HDAC8SMN1; SMN2MAPTNPC1
SCHEMBL4150659 0.86 AR (0.48) HDAC2HDAC1HDAC8MAPTL3MBTL1
SCHEMBL4146941 0.81 ALDH1A1 (0.44) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL4153657 0.81 AR (0.40) HDAC8SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4145663 0.81 S1PR1 (0.44) HDAC2HDAC1HDAC8SMN1; SMN2MAPT
SCHEMBL4158085 0.81 S1PR1 (0.41) SMN1; SMN2MAPTMEN1KMT2AAR
SCHEMBL4146900 0.81 AR (0.44) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL4156862 0.80 AR (0.38) ARPGR
SCHEMBL4156505 0.79 RAB9A (0.41) HDAC1HDAC8SMN1; SMN2MAPTL3MBTL1
SCHEMBL4146890 0.78 AR (0.43) HDAC2HDAC1HDAC8SMN1; SMN2MAPT

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 HDAC2 570/4885HDAC1 797/4885HDAC8 808/4885

“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.