SCHEMBL13701419

SCHEMBL13701419

CCOc1ccc(-c2nc(CNC(C)=O)co2)cc1OCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 4/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
S1PR3 Q99500 5/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL13701423 0.86 ALDH1A1 (0.46) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4276680 0.85 HPGD (0.53) S1PR1KDM4EHSD17B10RAB9AALDH1A1
SCHEMBL4273678 0.85 MAPT (0.48) S1PR1KDM4EHSD17B10RAB9AALDH1A1
SCHEMBL4274950 0.84 HSD17B10 (0.49) S1PR1KDM4EHSD17B10RAB9AALDH1A1
SCHEMBL4273688 0.83 S1PR1 (0.51) S1PR1KDM4EHSD17B10RAB9ALMNA
SCHEMBL13701420 0.83 DHODH (0.43) KDM4EHSD17B10ALDH1A1MAPK1SMN1; SMN2
SCHEMBL4283029 0.82 MAPT (0.46) S1PR1KDM4EHSD17B10RAB9AALDH1A1
SCHEMBL4278834 0.82 S1PR1 (0.50) S1PR1KDM4EHSD17B10RAB9AALDH1A1
SCHEMBL15450565 0.82 HPGD (0.40) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL13701421 0.81 PDE4B (0.46) KDM4EALDH1A1HPGDLMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090221586-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A S1PR1 964/4885KDM4E 1260/4885HSD17B10 552/4885

“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.