SCHEMBL699995

SCHEMBL699995

COC(=O)c1cccc2c1c(C=O)cn2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
SNCA P37840 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
BACE1 P56817 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLA2G2A P14555 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL1079929 0.90 CHRM1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL9484308 0.85 MAPT (0.63) APPSNCASMN1; SMN2ALDH1A1LMNA
SCHEMBL9484312 0.85 MAPT (0.63) APPSNCASMN1; SMN2ALDH1A1LMNA
SCHEMBL31668287 0.84 P2RX7 (0.47) APPSNCAALDH1A1LMNAHTT
SCHEMBL30379245 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNATDP1HTT
SCHEMBL20603159 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNATDP1HTT
SCHEMBL703149 0.84 PLA2G2A (0.44) APPSNCAALDH1A1LMNACNR1
SCHEMBL26552471 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNATDP1HTT
SCHEMBL702371 0.78 NR4A2 (0.52) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL17829724 0.77 ALDH1A1 (0.52) APPSNCASMN1; SMN2ALDH1A1LMNA

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 APP 4820/4885SNCA 4576/4885SMN1; SMN2 4754/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B APP 4820/4885SNCA 4576/4885SMN1; SMN2 4754/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B APP 4820/4885SNCA 4576/4885SMN1; SMN2 4754/4885

“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.