SCHEMBL4258094

SCHEMBL4258094

N#Cc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)o3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.61
SLC2A1 P11166 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DGAT1 O75907 5/20 0.48
RXFP1 Q9HBX9 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
ADCY1 Q08828 1/20 0.46
ABL1 P00519 1/20 0.45
PLAU P00749 2/20 0.45
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
GRM5 P41594 2/20 0.44
CETP P11597 1/20 0.44

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
SCHEMBL4252955 0.89 SMO (0.64) SMONPC1RAB9ADGAT1RXFP1
SCHEMBL4261440 0.87 SMO (0.74) SMONPC1RAB9ADGAT1TRPV1
SCHEMBL4259960 0.86 SMO (0.66) SMOALDH1A1NPC1HPGDTSHR
SCHEMBL4254353 0.86 SMO (0.66) SMOALDH1A1NPC1HPGDTSHR
SCHEMBL4259934 0.85 SMO (0.70) SMOALDH1A1NPC1HPGDTSHR
SCHEMBL4256991 0.85 SMO (0.64) SMOALDH1A1NPC1HPGDTSHR
SCHEMBL4263798 0.85 SMO (0.61) SMOALDH1A1NPC1HPGDTSHR
SCHEMBL4257017 0.82 SMO (0.73) SMONPC1RAB9ASMN1; SMN2DGAT1
SCHEMBL4257547 0.81 SMO (0.69) SMOALDH1A1NPC1TSHRRAB9A
SCHEMBL4254381 0.81 SMO (0.69) SMONPC1HPGDRAB9ASMN1; SMN2

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
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 WO 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

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 1063/4885SLC2A1 828/4885ALDH1A1 132/4885

“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.