SCHEMBL701140

SCHEMBL701140

COC(=O)c1cccc2nn(COCC[Si](C)(C)C)c(C=O)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
DGAT1 O75907 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 2/20 0.33
GAA P10253 2/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
F2RL1 P55085 1/20 0.31

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
SCHEMBL701543 0.83 DGAT1 (0.35) DGAT1F2RL1
SCHEMBL31651553 0.81 F2RL1 (0.35) P2RX7DGAT1F2RL1
SCHEMBL700961 0.81 TRPA1 (0.35) P2RX7ALDH1A1KDM4EDGAT1SMN1; SMN2
SCHEMBL1059231 0.75 PTGER4 (0.45) ALDH1A1KDM4ESMN1; SMN2GAAKMT2A
SCHEMBL31055904 0.74 NPC1 (0.36) ALDH1A1KDM4EDGAT1LMNAMAPK1
SCHEMBL29563997 0.73 DGAT1 (0.34) KDM4EDGAT1RAB9AKMT2AHSP90AA1
SCHEMBL22717531 0.71 KDM4E (0.40) ALDH1A1KDM4EDGAT1LMNAGAA
SCHEMBL22732169 0.71 STING1 (0.38) ALDH1A1KDM4EDGAT1MAPTF2RL1
SCHEMBL22717628 0.69 ALDH1A1 (0.38) ALDH1A1KDM4EDGAT1SMN1; SMN2LMNA
SCHEMBL701133 0.69 DGAT1 (0.33) DGAT1MAPTNPC1

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 P2RX7 451/4885ALDH1A1 2992/4885KDM4E 3629/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B P2RX7 451/4885ALDH1A1 2992/4885KDM4E 3629/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B P2RX7 451/4885ALDH1A1 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.