SCHEMBL4257574

SCHEMBL4257574

O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.81
DGAT1 O75907 4/20 0.52
MAPT P10636 5/20 0.52
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
DDR1 Q08345 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL4257675 0.91 SMO (0.74) SMODGAT1MAPTKDM4EPOLB
SCHEMBL4261338 0.91 SMO (0.80) SMODGAT1MAPTKDM4EMEN1
SCHEMBL4262062 0.90 SMO (0.69) SMODGAT1MAPTKDM4EMEN1
SCHEMBL4260063 0.90 SMO (1.00) SMODGAT1MAPTMEN1KMT2A
SCHEMBL4263809 0.86 SMO (0.74) SMODGAT1MAPTKDM4ECYP2C19
SCHEMBL4259934 0.85 SMO (0.70) SMODGAT1MAPTKDM4EMEN1
SCHEMBL4256822 0.85 SMO (0.80) SMOMAPTKDM4EMEN1KMT2A
SCHEMBL4260906 0.84 SMO (0.81) SMODGAT1TYK2
SCHEMBL4267046 0.83 SMO (0.86) SMODGAT1MAPTKDM4EPOLB
SCHEMBL4258611 0.83 SMO (0.70) SMODGAT1MAPTKDM4EMEN1

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.