SCHEMBL702122

SCHEMBL702122

COC(=O)c1cc(Cl)cc2[nH]nc(C=O)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.41
NR4A2 P43354 3/20 0.41
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SERPINH1 P50454 1/20 0.39
ALPL P05186 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 1/20 0.37
ABL1 P00519 1/20 0.36
NQO2 P16083 4/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL701198 0.84 NR4A2 (0.38) NR4A2ALDH1A1L3MBTL1SLC6A3MAPT
SCHEMBL701939 0.84 MAP2K4 (0.41) MAP2K4ALDH1A1ALPLSLC6A4SLC6A3
SCHEMBL700007 0.79 KDM4E (0.47) NR4A2ALDH1A1MAPTKDM4ESTAT3
SCHEMBL2584137 0.74 OPRK1 (0.42) MAP2K4NR4A2SERPINH1ALPLSLC6A3
SCHEMBL21419429 0.69 NR4A2 (0.55) NR4A2SERPINH1SLC6A4SLC6A3ABL1
SCHEMBL2592578 0.69 NR4A2 (0.48) MAP2K4NR4A2ALDH1A1SERPINH1MAPT
SCHEMBL22605161 0.68 MAPT (0.38) NR4A2ALDH1A1L3MBTL1SLC6A3MAPT
SCHEMBL15687709 0.68 PIM1 (0.40) MAP2K4NR4A2ALDH1A1L3MBTL1ALPL
SCHEMBL17439527 0.67 MAP2K4 (0.52) MAP2K4ALDH1A1L3MBTL1KDM4ESTAT3
SCHEMBL377682 0.67 KDM4E (0.48) MAP2K4ALDH1A1L3MBTL1KDM4ESTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 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
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 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
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 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
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-03 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 (4 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MAP2K4 1779/4885NR4A2 3653/4885ALDH1A1 2992/4885
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MAP2K4 1779/4885NR4A2 3653/4885ALDH1A1 2992/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MAP2K4 1779/4885NR4A2 3653/4885ALDH1A1 2992/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MAP2K4 1779/4885NR4A2 3653/4885ALDH1A1 2992/4885

“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.