SCHEMBL4127857

SCHEMBL4127857

CN(Cc1c(OCC2CC2)ccc2c(CCC3CCN(c4ccc(Cl)nn4)CC3)noc12)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 5/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 0.32
ACACB O00763 3/20 0.32
ACACA Q13085 3/20 0.32
BCHE P06276 2/20 0.32
PANK3 Q9H999 1/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL4129693 0.89 ACHE (0.35) ACHEHTR2CSLC6A4ACACBACACA
SCHEMBL4124618 0.83 ACHE (0.41) MEN1KMT2ASMN1; SMN2ACHELMNA
SCHEMBL4124614 0.82 ACHE (0.39) MEN1KMT2ASMN1; SMN2ACHELMNA
SCHEMBL4126281 0.80 CSF1R (0.42) ACHE
SCHEMBL4125743 0.79 ACHE (0.39) MEN1KMT2ASMN1; SMN2ACHELMNA
SCHEMBL13596222 0.78 ACHE (0.38) MEN1KMT2ASMN1; SMN2ACHELMNA
SCHEMBL4120913 0.78 ACHE (0.39) MEN1KMT2ASMN1; SMN2ACHELMNA
SCHEMBL4112904 0.78 ACHE (0.39) MEN1KMT2ASMN1; SMN2ACHELMNA
SCHEMBL4112912 0.78 ACHE (0.39) MEN1KMT2ASMN1; SMN2ACHELMNA
SCHEMBL4133377 0.77 ACHE (0.37) MEN1KMT2ASMN1; SMN2ACHELMNA

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 4 patents. 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
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 MEN1 1361/4885KMT2A 1211/4885SMN1; SMN2 3331/4885

“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.