SCHEMBL13698258

SCHEMBL13698258

BC1=CC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 3/20 0.53
HSP90AA1 P07900 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
CA2 P00918 1/20 0.45
LMNA P02545 4/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
LDHA P00338 1/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK10 P53779 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3470063 0.83 RGS4 (0.55) KMT2AALDH1A1HSP90AA1SIGMAR1CA2
SCHEMBL1542663 0.79 HSP90AA1 (0.71) KMT2AALDH1A1HSP90AA1SIGMAR1CA2
SCHEMBL4854039 0.75 NR1H3 (0.62) KMT2AALDH1A1LMNATP53MAPT
SCHEMBL4628903 0.74 KMT2A (0.55) KMT2AALDH1A1HSP90AA1SIGMAR1CA2
SCHEMBL10341825 0.74 KMT2A (0.57) KMT2AALDH1A1HSP90AA1SIGMAR1CA2
SCHEMBL8135497 0.72 KMT2A (0.52) KMT2AALDH1A1LDHAL3MBTL1
SCHEMBL16158991 0.72 RGS4 (0.52) KMT2AALDH1A1HSP90AA1LMNATP53
SCHEMBL17080644 0.72 RGS4 (0.52) KMT2AALDH1A1HSP90AA1LMNATP53
SCHEMBL30830857 0.72 KMT2A (0.71) KMT2AALDH1A1HSP90AA1SIGMAR1CA2
SCHEMBL13832415 0.72 RGS4 (0.64) KMT2AALDH1A1

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-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2009-09-17 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-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C KMT2A 998/4885ALDH1A1 176/4885HSP90AA1 3851/4885

“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.