SCHEMBL4252955

SCHEMBL4252955

N#Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)o3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.64
TRPV1 Q8NER1 2/20 0.58
MLYCD O95822 1/20 0.51
DGAT1 O75907 7/20 0.51
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC4 P56524 1/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.44
CETP P11597 1/20 0.44
NAMPT P43490 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL4261440 0.90 SMO (0.74) SMOTRPV1DGAT1MEN1NPC1
SCHEMBL4258094 0.89 SMO (0.61) SMOTRPV1DGAT1NPC1RAB9A
SCHEMBL4254381 0.88 SMO (0.69) SMOTRPV1DGAT1MEN1NPC1
SCHEMBL4263809 0.87 SMO (0.74) SMOTRPV1DGAT1NPC1HDAC4
SCHEMBL4260410 0.87 SMO (0.68) SMOTRPV1DGAT1NPC1RAB9A
SCHEMBL4257547 0.85 SMO (0.69) SMOTRPV1DGAT1NPC1RAB9A
SCHEMBL28654073 0.85 SMO (0.51) SMOKMT2AHSD17B10
SCHEMBL4259931 0.84 SMO (0.64) SMOTRPV1DGAT1TP53NAMPT
SCHEMBL4262412 0.84 SMO (0.64) SMODGAT1MEN1NPC1RAB9A
SCHEMBL4263832 0.84 SMO (0.64) SMOTRPV1DGAT1HDAC4TP53

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-8404722-B2 Oxazole compounds compositions and methods of use AMGEN INC. (US) 2013-03-26 US claimed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US claimed
US-8404722-B2 Oxazole compounds compositions and methods of use AMGEN INC. (US) 2013-03-26 US disclosed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US disclosed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 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-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE OXA1L, CYP11B2, CYP3A7 SMO 1063/4885TRPV1 2292/4885MLYCD 1072/4885

“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.