SCHEMBL4267239

SCHEMBL4267239

O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.64
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTPN1 P18031 2/20 0.51
DGAT1 O75907 10/20 0.49
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
PTPN2 P17706 1/20 0.46
ADORA1 P30542 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
SCHEMBL4261440 0.80 SMO (0.74) SMOHSD17B10PTPN1DGAT1MEN1
SCHEMBL14148506 0.79 MAPT (0.62) HPGDSMN1; SMN2HSD17B10USP2POLB
SCHEMBL24474024 0.78 HPGD (0.77) SMOHPGDSMN1; SMN2HSD17B10USP2
SCHEMBL4260063 0.78 SMO (1.00) SMOHPGDDGAT1MEN1ALDH1A1
SCHEMBL4260906 0.78 SMO (0.81) SMODGAT1
SCHEMBL7695853 0.78 HPGD (0.56) HPGDSMN1; SMN2HSD17B10USP2POLB
SCHEMBL4258711 0.77 SMO (0.79) SMOHPGDSMN1; SMN2HSD17B10POLB
SCHEMBL4260880 0.77 SMO (0.79) SMOSMN1; SMN2HSD17B10DGAT1KDM4E
SCHEMBL4254381 0.77 SMO (0.69) SMOHPGDSMN1; SMN2POLBPTPN1
SCHEMBL4257547 0.77 SMO (0.69) SMOSMN1; SMN2POLBTSHRDGAT1

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 1063/4885HPGD 152/4885SMN1; SMN2 1300/4885

“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.