SCHEMBL4255691

SCHEMBL4255691

COc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.73
MAPT P10636 4/20 0.57
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
THRB P10828 2/20 0.56
TP53 P04637 1/20 0.56
DGAT1 O75907 10/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
LCLAT1 Q6UWP7 1/20 0.49

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
SCHEMBL4261357 0.87 SMO (0.77) SMOMAPTRAB9AKDM4ENPC1
SCHEMBL4260880 0.85 SMO (0.79) SMOMAPTRAB9AKDM4ENPC1
SCHEMBL4258711 0.85 SMO (0.79) SMOMAPTALDH1A1RAB9AKDM4E
SCHEMBL4260063 0.85 SMO (1.00) SMOMAPTALDH1A1HPGDDGAT1
SCHEMBL4262412 0.84 SMO (0.64) SMOMAPTALDH1A1RAB9AKDM4E
SCHEMBL4257839 0.84 SMO (0.65) SMOMAPTALDH1A1RAB9AKDM4E
SCHEMBL4261440 0.83 SMO (0.74) SMORAB9ANPC1HSD17B10TP53
SCHEMBL4260410 0.82 SMO (0.68) SMOMAPTRAB9AKDM4ENPC1
SCHEMBL4258611 0.82 SMO (0.70) SMOMAPTALDH1A1RAB9AKDM4E
SCHEMBL4257017 0.82 SMO (0.73) SMOMAPTRAB9AKDM4ENPC1

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 1063/4885MAPT 2622/4885ALDH1A1 132/4885

“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.