SCHEMBL701351

SCHEMBL701351

CCn1nc(C=O)c2c(C(=O)OC)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.42
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 2/20 0.38
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 1/20 0.36
PTGER4 P35408 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
TRPA1 O75762 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL701577 0.86 KDM4E (0.35) NR4A2ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL701323 0.85 CYP1A2 (0.44) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL704175 0.83 NR4A2 (0.41) NR4A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1081283 0.83 PTGER4 (0.44) PTGER4
SCHEMBL702637 0.82 NR4A2 (0.40) NR4A2ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL27832050 0.82 NR4A2 (0.40) NR4A2ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL700961 0.82 TRPA1 (0.35) NR4A2ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL699920 0.80 KMT2A (0.37) NR4A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL702834 0.76 CCR1 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL29614533 0.71 PDE4A (0.43) NR4A2ALDH1A1KDM4ESMN1; SMN2KMT2A

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 8 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-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-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 US 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-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 (3 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 NR4A2 3653/4885ALDH1A1 2992/4885KDM4E 3629/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B NR4A2 3653/4885ALDH1A1 2992/4885KDM4E 3629/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B NR4A2 3653/4885ALDH1A1 2992/4885KDM4E 3629/4885

“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.