SCHEMBL4151095

SCHEMBL4151095

N#Cc1ccc(N(Cc2nc(-c3ccccn3)no2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.44
RAB9A P51151 11/20 0.44
SMN1; SMN2 Q16637 10/20 0.44
HTT P42858 3/20 0.44
AR P10275 2/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 3/20 0.42
TSHR P16473 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL4150659 0.87 AR (0.48) NPC1RAB9AHTTARALDH1A1
SCHEMBL4142736 0.84 GRM5 (0.40) NPC1RAB9AARALDH1A1HPGD
SCHEMBL4140744 0.83 AR (0.42) NPC1RAB9AHTTARALDH1A1
SCHEMBL4146941 0.83 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2HTTAR
SCHEMBL4158085 0.82 S1PR1 (0.41) SMN1; SMN2ARHPGDMEN1KMT2A
SCHEMBL4145663 0.82 S1PR1 (0.44) SMN1; SMN2ARMAPTPGR
SCHEMBL4153657 0.82 AR (0.40) NPC1RAB9ASMN1; SMN2HTTAR
SCHEMBL4156606 0.82 AR (0.39) NPC1RAB9ASMN1; SMN2HTTAR
SCHEMBL4147167 0.82 S1PR1 (0.44) NPC1RAB9ASMN1; SMN2ARALDH1A1
SCHEMBL4156862 0.81 AR (0.38) ARPGR

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-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
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 NPC1 845/4885RAB9A 4816/4885SMN1; SMN2 4885/4885

“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.