SCHEMBL5751541

SCHEMBL5751541

O=C(CCc1nccn1CCCCc1ccc(OCc2coc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.60
MINK1 Q8N4C8 1/20 0.60
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
FKBP1A P62942 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL5751547 1.00 ERBB2 (0.60) ERBB2MINK1KEAP1NFE2L2FKBP1A
SCHEMBL5751656 0.95 ERBB2 (0.61) ERBB2MINK1
SCHEMBL5751651 0.95 ERBB2 (0.61) ERBB2MINK1
SCHEMBL5752642 0.89 ERBB2 (0.66) ERBB2MINK1PPARG
SCHEMBL5752630 0.89 ERBB2 (0.66) ERBB2MINK1PPARG
SCHEMBL5751641 0.87 ERBB2 (0.64) ERBB2MINK1
SCHEMBL5751639 0.87 ERBB2 (0.64) ERBB2MINK1
SCHEMBL5750140 0.86 ERBB2 (0.63) ERBB2MINK1PPARG
SCHEMBL5751814 0.86 ERBB2 (0.63) ERBB2MINK1
SCHEMBL5750139 0.86 ERBB2 (0.63) ERBB2MINK1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984653-B2 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-10 US disclosed
US-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 US disclosed
EP-1439178-A1 HETEROCYCLIC COMPOUNDS, OXAZOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-21 EP 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-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof ABL1, JAK1, BTK ERBB2 17/4885MINK1 477/4885KEAP1 2525/4885

“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.