SCHEMBL4267136

SCHEMBL4267136

O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMO Q99835 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CHKA P35790 3/20 0.47
PTGS2 P35354 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GSK3B P49841 1/20 0.45

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
SCHEMBL28654383 1.00 MMP2 (0.52) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL4260907 0.88 MAPT (0.53) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL14670971 0.81 KMT2A (0.72) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL28664345 0.80 SMO (0.55) KMT2AMEN1SMONPC1ALDH1A1
SCHEMBL4258701 0.80 KMT2A (0.63) MMP2MMP9MMP8MMP13KMT2A
SCHEMBL4409064 0.79 SMO (0.54) KMT2AMAPTMEN1SMOSMN1; SMN2
SCHEMBL28673270 0.79 SMO (0.54) MAPTSMORAB9ANPC1ALDH1A1
SCHEMBL28669024 0.79 SMO (0.54) MAPTSMORAB9ANPC1ALDH1A1
SCHEMBL28676292 0.76 ALDH1A1 (0.55) KMT2AMAPTMEN1L3MBTL1SMO
SCHEMBL28664350 0.76 SMO (0.51) SMOALDH1A1CHKA

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 4 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 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
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 MMP2 2966/4885MMP9 1899/4885MMP8 1342/4885

“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.