SCHEMBL13596108

SCHEMBL13596108

COCc1cc(/C(C)=N/O)c(O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HMGCR P04035 2/20 0.38
PRKCE Q02156 3/20 0.38
MYLK Q15746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCA P17252 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MGLL Q99685 1/20 0.36
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL13596107 0.81 HTT (0.66) HTTHMGCRPRKCEMYLKMEN1
SCHEMBL13841098 0.81 CYP3A4 (0.47) HTTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL29434854 0.72 MGLL (0.49) HTTESR1ESR2HMGCRRECQL
SCHEMBL29434876 0.72 MGLL (0.49) HTTESR1ESR2HMGCRRECQL
SCHEMBL17388702 0.71 TAAR1 (0.45) HTTPRKCEMYLKMEN1KMT2A
SCHEMBL13596109 0.70 CYP3A4 (0.50) HTTPRKCEKMT2AALDH1A1CYP3A4
SCHEMBL26688315 0.70 MEN1 (0.47) HTTHMGCRMEN1KMT2AMAPT
SCHEMBL26688311 0.70 MEN1 (0.47) HTTHMGCRMEN1KMT2AMAPT
SCHEMBL29063428 0.69 MAPT (0.52) HTTHMGCRPRKCEMYLKMEN1
SCHEMBL17307554 0.68 MAPK1 (0.62) HTTESR1ESR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 HTT 3905/4885ESR1 412/4885ESR2 244/4885

“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.