SCHEMBL13701429

SCHEMBL13701429

COc1ccc(-c2nc(CCC(=O)c3ccccc3C)co2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
NPC1 O15118 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
THRB P10828 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4277709 0.93 SMN1; SMN2 (0.43) PTGS2NPC1MAPTKDM4ESMN1; SMN2
SCHEMBL4278360 0.92 PTGS2 (0.44) PTGS2NPC1MAPTKDM4ESMN1; SMN2
SCHEMBL4272471 0.92 NPC1 (0.42) PTGS2NPC1MAPTKDM4ESMN1; SMN2
SCHEMBL13701440 0.92 CTNNB1 (0.45) PTGS2NPC1MAPTKDM4ESMN1; SMN2
SCHEMBL4282974 0.90 PARP1 (0.46) PTGS2NPC1MAPTKDM4ESMN1; SMN2
SCHEMBL4277672 0.89 PDE4B (0.41) PTGS2MAPT
SCHEMBL4279600 0.88 S1PR1 (0.44) NPC1MAPTKDM4ERAB9AHSD17B10
SCHEMBL13701424 0.87 SMN1; SMN2 (0.45) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13701426 0.86 S1PR1 (0.43) PTGS2NPC1MAPTKDM4ESMN1; SMN2
SCHEMBL13701425 0.85 LCLAT1 (0.40) NPC1MAPTKDM4ESMN1; SMN2RAB9A

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-RE46792-E1 Oxazole compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-17 US disclosed
US-20170216260-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-8637559-B2 Oxazole compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-28 US disclosed
US-20090221586-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-09-03 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 (2 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-20170216260-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A PTGS2 356/4885NPC1 3899/4885MAPT 4667/4885
US-20090221586-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A PTGS2 356/4885NPC1 3899/4885MAPT 4667/4885

“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.