SCHEMBL13596012

SCHEMBL13596012

COCc1c(OC)ccc2c(C)noc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.34
BRD4 O60885 2/20 0.33
GAA P10253 1/20 0.33
MAPK10 P53779 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARD Q03181 1/20 0.32

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
SCHEMBL13841091 0.86 KDM4E (0.38) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL13596040 0.84 HTT (0.38) ALDH1A1HTTMEN1KMT2AHCRTR1
SCHEMBL13841092 0.81 ALDH1A1 (0.41) ALDH1A1HTTMEN1KMT2AHCRTR1
SCHEMBL3955829 0.81 ALDH1A1 (0.50) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL7606859 0.78 ALDH1A1 (0.46) ALDH1A1POLBHCRTR1HCRTR2MAPT
SCHEMBL13841089 0.77 LMNA (0.35) ALDH1A1HTTMEN1KMT2AHCRTR1
SCHEMBL12646517 0.76 EDNRA (0.41) ALDH1A1HTTHCRTR1HCRTR2MAPT
SCHEMBL1278957 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EBRD4L3MBTL1
SCHEMBL4126911 0.72
SCHEMBL6993519 0.71 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E

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 ALDH1A1 858/4885HTT 3905/4885MEN1 1361/4885

“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.