SCHEMBL701323

SCHEMBL701323

COC(=O)c1cccc2c1c(C=O)nn2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RORC P51449 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
F2RL3 Q96RI0 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SLC16A3 O15427 1/20 0.40
CCR4 P51679 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL1081283 0.90 PTGER4 (0.44) CCR4P2RX7FGFR1FGFR4CSF1R
SCHEMBL701351 0.85 NR4A2 (0.42) SMN1; SMN2ALDH1A1TSHRHPGDKMT2A
SCHEMBL701364 0.84 SLC16A3 (0.43) CYP1A2SMN1; SMN2RORCALDH1A1TSHR
SCHEMBL27811768 0.84 CYP1A2 (0.42) CYP1A2SMN1; SMN2RORCF2RL3KMT2A
SCHEMBL701577 0.82 KDM4E (0.35) CYP1A2SMN1; SMN2RORCALDH1A1TSHR
SCHEMBL704175 0.79 NR4A2 (0.41) CYP1A2ALDH1A1TSHRKMT2AMEN1
SCHEMBL1078683 0.78 PTGER4 (0.42) CCR4P2RX7FGFR1FGFR4CSF1R
SCHEMBL13387253 0.78 PTGER4 (0.42) CCR4P2RX7FGFR1FGFR4CSF1R
SCHEMBL700961 0.78 TRPA1 (0.35) CYP1A2SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL699920 0.76 KMT2A (0.37) ALDH1A1TSHRKMT2AMEN1MAPT

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 CYP1A2 638/4885SMN1; SMN2 4754/4885RORC 2959/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CYP1A2 638/4885SMN1; SMN2 4754/4885RORC 2959/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CYP1A2 638/4885SMN1; SMN2 4754/4885RORC 2959/4885

“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.