SCHEMBL4259934

SCHEMBL4259934

O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.70
DGAT1 O75907 4/20 0.53
ADORA1 P30542 2/20 0.53
ADORA2A P29274 1/20 0.53
KDM4E B2RXH2 1/20 0.50
LCLAT1 Q6UWP7 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 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
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
PTGS2 P35354 1/20 0.47
KCNQ3 O43525 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 0.90 SMO (0.74) SMODGAT1NPC1RAB9AMEN1
SCHEMBL4254353 0.89 SMO (0.66) SMODGAT1KDM4ENPC1ALDH1A1
SCHEMBL4259960 0.89 SMO (0.66) SMODGAT1KDM4ENPC1ALDH1A1
SCHEMBL4263809 0.89 SMO (0.74) SMODGAT1KDM4ENPC1SMN1; SMN2
SCHEMBL4256991 0.88 SMO (0.64) SMODGAT1LCLAT1NPC1ALDH1A1
SCHEMBL4263798 0.85 SMO (0.61) SMODGAT1KDM4ELCLAT1NPC1
SCHEMBL4258094 0.85 SMO (0.61) SMODGAT1NPC1ALDH1A1HPGD
SCHEMBL4257574 0.85 SMO (0.81) SMODGAT1KDM4ENPC1RAB9A
SCHEMBL4260906 0.85 SMO (0.81) SMODGAT1PTGS2
SCHEMBL4257675 0.84 SMO (0.74) SMODGAT1KDM4ENPC1ALDH1A1

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 1063/4885DGAT1 2723/4885ADORA1 1147/4885

“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.