SCHEMBL4568376

SCHEMBL4568376

COc1cc(CC(=O)c2ccccc2)c(NC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.39
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8761774 0.88 KMT2A (0.42) MEN1KMT2AMTNR1AMTNR1BNPC1
SCHEMBL4568367 0.86 MEN1 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4568384 0.85 MEN1 (0.44) MEN1KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4568012 0.82 KMT2A (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL17230169 0.80 NR1H4 (0.48) MEN1KMT2ARAB9AMAPTBRD4
SCHEMBL4568020 0.77 PPARG (0.40) RAB9ABRD4BRD9
SCHEMBL4568354 0.76 MAPT (0.49) MEN1KMT2AALDH1A1MAPTBRD4
SCHEMBL4568065 0.76 BRD4 (0.38) MEN1KMT2ABRD4BRD9
SCHEMBL15998621 0.76 MTNR1A (0.40) MEN1KMT2AMTNR1AMTNR1BNPC1
SCHEMBL4568022 0.76 EPHX1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MEN1 2993/4885KMT2A 2056/4885MTNR1A 19/4885

“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.