SCHEMBL4267046

SCHEMBL4267046

O=C(Nc1ccc(-c2nc(-c3ccncc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 12/20 0.86
MAPT P10636 1/20 0.55
JAK2 O60674 1/20 0.55
TYK2 P29597 1/20 0.55
GRM4 Q14833 2/20 0.52
DGAT1 O75907 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
RORC P51449 1/20 0.47

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
SCHEMBL4260063 0.93 SMO (1.00) SMOMAPTDGAT1ALDH1A1HPGD
SCHEMBL4257547 0.83 SMO (0.69) SMOMAPTJAK2TYK2DGAT1
SCHEMBL4257574 0.83 SMO (0.81) SMOMAPTJAK2TYK2DGAT1
SCHEMBL4260906 0.82 SMO (0.81) SMOTYK2DGAT1RORC
SCHEMBL4261338 0.82 SMO (0.80) SMOMAPTGRM4DGAT1KDM4E
SCHEMBL4258711 0.81 SMO (0.79) SMOMAPTDGAT1KDM4EALDH1A1
SCHEMBL4260880 0.81 SMO (0.79) SMOMAPTDGAT1KDM4ESMN1; SMN2
SCHEMBL4261357 0.81 SMO (0.77) SMOMAPTDGAT1KDM4EHPGD
SCHEMBL4262062 0.80 SMO (0.69) SMOMAPTJAK2TYK2DGAT1
SCHEMBL4261440 0.79 SMO (0.74) SMODGAT1HSD17B10TRPV1

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 8 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
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
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 1063/4885MAPT 2622/4885JAK2 431/4885

“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.