SCHEMBL4259960

SCHEMBL4259960

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.66
LMNA P02545 1/20 0.60
ADCY1 Q08828 2/20 0.60
TRPV1 Q8NER1 1/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
KCNK3 O14649 1/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PTGS1 P23219 1/20 0.54
ADCY8 P40145 1/20 0.53
DGAT1 O75907 3/20 0.52
P2RX1 P51575 1/20 0.51
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51

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) SMOTRPV1RAB9AMEN1KMT2A
SCHEMBL4254353 0.90 SMO (0.66) SMOLMNAADCY1TRPV1MAPT
SCHEMBL4256991 0.89 SMO (0.64) SMOTRPV1MAPTKCNK3POLB
SCHEMBL4259934 0.89 SMO (0.70) SMOADCY1TRPV1MAPTKDM4E
SCHEMBL4258094 0.86 SMO (0.61) SMOADCY1TRPV1POLBALDH1A1
SCHEMBL4263798 0.86 SMO (0.61) SMOLMNAADCY1MAPTKDM4E
SCHEMBL4257547 0.84 SMO (0.69) SMOLMNATRPV1MAPTKDM4E
SCHEMBL4254381 0.84 SMO (0.69) SMOLMNAADCY1TRPV1MAPT
SCHEMBL4741743 0.84 ADCY1 (0.65) LMNAADCY1TRPV1MAPTKCNK3
SCHEMBL4260410 0.83 SMO (0.68) SMOLMNATRPV1MAPTKDM4E

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 1063/4885LMNA 2974/4885ADCY1 1950/4885

“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.