SCHEMBL1077462

SCHEMBL1077462

COC(=O)c1cc(Cl)cc2c(C)c([Si](C)(C)C)[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NR4A2 P43354 3/20 0.41
SERPINH1 P50454 1/20 0.39
MAPT P10636 2/20 0.39
ABL1 P00519 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PLA2G2A P14555 2/20 0.35
CHEK1 O14757 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1078500 0.71 NR4A2 (0.51) MEN1KMT2ANR4A2SERPINH1MAPT
SCHEMBL1305735 0.70 MAPT (0.42) NR4A2MAPTKDM4ENPC1NFKB1
SCHEMBL5189548 0.70 MEN1 (0.47) MEN1KMT2ANR4A2SERPINH1MAPT
SCHEMBL1006181 0.69 PSMB8 (0.48) MEN1KMT2ANR4A2SERPINH1MAPT
SCHEMBL25550068 0.69 ABL1 (0.49) MEN1KMT2ANR4A2SERPINH1MAPT
SCHEMBL14341400 0.68 ABL1 (0.47) MEN1KMT2ANR4A2SERPINH1MAPT
SCHEMBL16197979 0.67 MEN1 (0.42) MEN1KMT2ANR4A2SERPINH1MAPT
SCHEMBL15563225 0.67 MEN1 (0.44) MEN1KMT2ANR4A2MAPTKDM4E
SCHEMBL13446325 0.66 ABL1 (0.46) MEN1KMT2ANR4A2SERPINH1MAPT
SCHEMBL30701408 0.66 SERPINH1 (0.43) MEN1KMT2ANR4A2SERPINH1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 US disclosed
EP-2459563-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-06-06 EP disclosed
WO-2011008572-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-20 WO 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 (2 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-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MEN1 2184/4885KMT2A 2954/4885NR4A2 3653/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MEN1 2184/4885KMT2A 2954/4885NR4A2 3653/4885

“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.