SCHEMBL4257675

SCHEMBL4257675

O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccc(Cl)cc1F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.74
DGAT1 O75907 4/20 0.52
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR27 Q9NS67 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
DDR1 Q08345 1/20 0.46
CYP11B2 P19099 1/20 0.46
NTRK1 P04629 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4257574 0.91 SMO (0.81) SMODGAT1MAPTKDM4EPOLB
SCHEMBL4258611 0.90 SMO (0.70) SMODGAT1MAPTKDM4ENPSR1
SCHEMBL4258711 0.88 SMO (0.79) SMODGAT1MAPTKDM4EPOLB
SCHEMBL4261338 0.86 SMO (0.80) SMODGAT1MAPTKDM4ERAB9A
SCHEMBL4257839 0.86 SMO (0.65) SMODGAT1MAPTKDM4ERAB9A
SCHEMBL4263809 0.85 SMO (0.74) SMODGAT1MAPTKDM4ENPC1
SCHEMBL4260063 0.85 SMO (1.00) SMODGAT1MAPTALDH1A1HPGD
SCHEMBL4259934 0.84 SMO (0.70) SMODGAT1MAPTKDM4ERAB9A
SCHEMBL4262062 0.82 SMO (0.69) SMODGAT1MAPTKDM4EPOLB
SCHEMBL4260880 0.82 SMO (0.79) SMODGAT1MAPTKDM4ERAB9A

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-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
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 1063/4885DGAT1 2723/4885MAPT 2622/4885

“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.