SCHEMBL2552417

SCHEMBL2552417

CC(CC(=O)O)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 5/20 0.52
▸ PKM P14618 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HCAR3 P49019 5/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ APP P05067 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46

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
SCHEMBL2590362 0.82 HDAC1 (0.44) MAPTKMT2AL3MBTL1MEN1GAA
SCHEMBL16491994 0.82 HDAC8 (0.50) MAPTKMT2AL3MBTL1MEN1GAA
SCHEMBL9822953 0.82 KMT2A (0.59) MAPTMAPK1KMT2APKML3MBTL1
SCHEMBL992446 0.82 HCAR3 (0.68) MAPTKMT2APKML3MBTL1HCAR3
SCHEMBL28644813 0.81 KMT2A (0.58) MAPTKMT2APKMHCAR3MEN1
SCHEMBL15687598 0.80 POLB (0.61) MAPTKMT2APKML3MBTL1HCAR3
SCHEMBL30590597 0.80 KMT2A (0.59) MAPTMAPK1KMT2APKML3MBTL1
SCHEMBL29117538 0.80 KMT2A (0.59) MAPTMAPK1KMT2APKML3MBTL1
SCHEMBL10732354 0.79 HCAR3 (0.55) MAPTKMT2APKMHCAR3NPC1
SCHEMBL28126128 0.78 LMNA (0.60) MAPTKMT2AHCAR3MEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 — — US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 — — US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 — — US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 — — WO disclosed
WO-2011124638-A1 PIMOBENDAN MANUFACTURING PROCESS NOVARTIS AG (CH) 2011-10-13 — — WO disclosed
WO-2011124638-A1 PIMOBENDAN MANUFACTURING PROCESS NOVARTIS AG (CH) 2011-10-13 — — WO 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 (2 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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 MAPT 4084/4885MAPK1 948/4885KMT2A 3495/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 MAPT 4084/4885MAPK1 948/4885KMT2A 3495/4885

“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.

Send feedback