SCHEMBL13701440

SCHEMBL13701440

COc1ccc(-c2nc(CCC(=O)c3ccccc3OC)co2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.45
WNT3A P56704 5/20 0.45
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
PTGS2 P35354 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4270743 0.93 SMN1; SMN2 (0.45) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13701424 0.93 SMN1; SMN2 (0.45) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL4276119 0.92 CTNNB1 (0.41) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13701426 0.92 S1PR1 (0.43) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL13701429 0.92 PTGS2 (0.48) KDM4ESMN1; SMN2HSD17B10HTTNPC1
SCHEMBL4280683 0.92 CTNNB1 (0.43) CTNNB1WNT3AKDM4EHTTNPC1
SCHEMBL13701425 0.91 LCLAT1 (0.40) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL4280633 0.91 SMN1; SMN2 (0.45) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL4271318 0.90 DHODH (0.46) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL4273489 0.90 S1PR1 (0.41) CTNNB1WNT3AKDM4ESMN1; SMN2HTT

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 CTNNB1 1636/4885WNT3A 2621/4885KDM4E 1260/4885
US-20090221586-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A CTNNB1 1636/4885WNT3A 2621/4885KDM4E 1260/4885

“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.