SCHEMBL701577

SCHEMBL701577

COC(=O)c1cccc2c1c(C=O)nn2CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
RAB9A P51151 1/20 0.35
NR4A2 P43354 2/20 0.34
RORC P51449 1/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CB P42338 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL701351 0.86 NR4A2 (0.42) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL15687680 0.83 KMT2A (0.38) KDM4EGAAKMT2AATMALDH1A1
SCHEMBL15687296 0.83 RORC (0.39) KDM4EGAAKMT2AATMALDH1A1
SCHEMBL701323 0.82 CYP1A2 (0.44) KDM4EGAAKMT2AALDH1A1RORC
SCHEMBL699920 0.81 KMT2A (0.37) KDM4EGAAKMT2AATMALDH1A1
SCHEMBL704175 0.80 NR4A2 (0.41) KDM4EGAAKMT2AATMALDH1A1
SCHEMBL1081283 0.80 PTGER4 (0.44)
SCHEMBL700961 0.79 TRPA1 (0.35) KDM4EALDH1A1POLBRAB9ANR4A2
SCHEMBL22776577 0.73 GRM2 (0.45) KDM4EGAAKMT2AALDH1A1RAB9A
SCHEMBL15687056 0.73 ALDH1A1 (0.34) KDM4EGAAKMT2AATMALDH1A1

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 KDM4E 3629/4885GAA 4730/4885KMT2A 2954/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KDM4E 3629/4885GAA 4730/4885KMT2A 2954/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KDM4E 3629/4885GAA 4730/4885KMT2A 2954/4885

“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.