SCHEMBL9142803

SCHEMBL9142803

CC1C(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MGLL Q99685 1/20 0.45
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
LOX P28300 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL4 Q96JB6 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
GAA P10253 3/20 0.42
CES2 O00748 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BCHE P06276 1/20 0.42
CES1 P23141 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A2 P23975 2/20 0.41

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
SCHEMBL31522712 1.00 MAOA (0.47) MAOAMEN1KMT2AMGLLOPRM1
SCHEMBL31657761 0.84 MAOA (0.40) MAOAMEN1KMT2AMGLLLOX
SCHEMBL22365595 0.84 MGLL (0.51) MEN1KMT2AMGLLGAAALDH1A1
SCHEMBL32677307 0.79 MEN1 (0.47) MAOAMEN1KMT2AMGLLCACNA1B
SCHEMBL28878339 0.78 MEN1 (0.46) MAOAMEN1KMT2AMGLLCACNA1B
SCHEMBL13284485 0.78 MAOA (0.36) MAOAMEN1KMT2AMGLLLOX
SCHEMBL12203852 0.77 OPRM1 (0.46) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL28557376 0.77 LPL (0.43) MAOAOPRM1OPRK1OPRL1CACNA1B
SCHEMBL208852 0.76 MEN1 (0.44) MAOAMEN1KMT2AMGLLCACNA1B
Hydrochloric Acid SCHEMBL7503502 0.76 MEN1 (0.44) MAOAMEN1KMT2AMGLLCACNA1B

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544161-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2020-01-28 US disclosed
US-20190321343-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2019-10-24 US disclosed
US-10376497-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-08-13 US disclosed
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2019-05-16 US disclosed
US-10233195-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-03-19 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-5434148-A β-carboline derivative TANABE SEIYAKU CO., LTD. (JP) 1995-07-18 US disclosed
EP-0572235-A2 Beta-carboline derivatives with anticholecystoquinine activity TANABE SEIYAKU CO., LTD. (JP) 1993-12-01 EP 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 (9 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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 MAOA 1784/4885MEN1 4562/4885KMT2A 4574/4885

“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.