SCHEMBL4254381

SCHEMBL4254381

O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.69
MAPT P10636 2/20 0.55
DGAT1 O75907 6/20 0.54
POLB P06746 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
ADCY1 Q08828 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ADCY8 P40145 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
CCR6 P51684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 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 0.93 SMO (0.74) SMODGAT1PTPN1NPC1RAB9A
SCHEMBL4260410 0.90 SMO (0.68) SMOMAPTDGAT1TDP1HPGD
SCHEMBL4263809 0.90 SMO (0.74) SMOMAPTDGAT1TDP1CYP1A2
SCHEMBL4257547 0.89 SMO (0.69) SMOMAPTDGAT1POLBHTT
SCHEMBL4254353 0.89 SMO (0.66) SMOMAPTDGAT1ADCY1ADCY8
SCHEMBL4252955 0.88 SMO (0.64) SMODGAT1HTTNPC1RAB9A
SCHEMBL4259931 0.88 SMO (0.64) SMOMAPTDGAT1TRPV1
SCHEMBL4262412 0.88 SMO (0.64) SMOMAPTDGAT1POLBCYP2C9
SCHEMBL4263832 0.88 SMO (0.64) SMOMAPTDGAT1POLBADCY1
SCHEMBL4256983 0.87 SMO (0.63) SMOMAPTDGAT1POLBHTT

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 2622/4885DGAT1 2723/4885

“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.