SCHEMBL231074

SCHEMBL231074

CC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 6/20 0.60
FBP1 P09467 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
GAA P10253 2/20 0.46
MAPT P10636 4/20 0.45
HDAC2 Q92769 2/20 0.44
LMNA P02545 2/20 0.44
P4HB P07237 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL9480693 0.93 ALDH1A1 (0.53) ALDH1A1KDM4EFBP1L3MBTL1TDP1
SCHEMBL5202399 0.91 FBP1 (0.53) ALDH1A1KDM4EFBP1L3MBTL1TDP1
SCHEMBL5202408 0.91 FBP1 (0.53) ALDH1A1KDM4EFBP1L3MBTL1TDP1
SCHEMBL2439471 0.85 FBP1 (0.57) ALDH1A1KDM4EFBP1L3MBTL1PKM
SCHEMBL2439472 0.85 FBP1 (0.57) ALDH1A1KDM4EFBP1L3MBTL1PKM
SCHEMBL8028788 0.84 KMT2A (0.47) ALDH1A1KDM4EFBP1L3MBTL1TDP1
SCHEMBL8028786 0.84 KMT2A (0.47) ALDH1A1KDM4EFBP1L3MBTL1TDP1
SCHEMBL9315389 0.83 ALDH1A1 (0.82) ALDH1A1KDM4EL3MBTL1TDP1GLA
SCHEMBL230881 0.83 MEN1 (0.56) ALDH1A1KDM4EFBP1L3MBTL1TDP1
SCHEMBL230880 0.83 MEN1 (0.56) ALDH1A1KDM4EFBP1L3MBTL1TDP1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440324-B1 Substituted beta-diketones and their use in the treatment of inflammatory bowel disease ORION YHTYMAE OY (FI) 2000-04-12 EP claimed
EP-0357403-B1 Substituted beta-diketones ORION YHTYMAE OY (FI) 1994-12-14 EP claimed
US-5292771-A Treating inflammatory bowel disease ORION-YHTYMA OY (FI) 1994-03-08 US claimed
US-5288750-A Antiulcer agents for gastrointestinal disorders ORION-YHTYMA OY (FI) 1994-02-22 US claimed
EP-0440324-A2 Substituted beta-diketones and their use ORION-YHTYMÀ„ OY (FI) 1991-08-07 EP claimed
WO-1990002724-A1 SUBSTITUTED β-DIKETONES Orion-Yhtymä Oy (FI) 1990-03-22 WO claimed
EP-0357403-A2 Substituted beta-diketones ORION-YHTYMÀ„ OY (FI) 1990-03-07 EP claimed
EP-2035419-B1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER IP GMBH (DE) 2016-06-22 EP disclosed
EP-2035419-B1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER IP GMBH (DE) 2016-06-22 EP disclosed
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8569314-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
US-8404709-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
EP-0357403-B1 Substituted beta-diketones ORION YHTYMAE OY (FI) 1994-12-14 EP disclosed
US-5292771-A Treating inflammatory bowel disease ORION-YHTYMA OY (FI) 1994-03-08 US disclosed
US-5288750-A Antiulcer agents for gastrointestinal disorders ORION-YHTYMA OY (FI) 1994-02-22 US disclosed
US-5185370-A Substituted β-diketones and their use ORION-YHTYMA OY (FI) 1993-02-09 US disclosed
EP-0440324-A2 Substituted beta-diketones and their use ORION-YHTYMÀ„ OY (FI) 1991-08-07 EP disclosed
WO-1990002724-A1 SUBSTITUTED β-DIKETONES Orion-Yhtymä Oy (FI) 1990-03-22 WO disclosed
EP-0357403-A2 Substituted beta-diketones ORION-YHTYMÀ„ OY (FI) 1990-03-07 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 (1 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-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 ALDH1A1 197/4885KDM4E 4248/4885FBP1 1905/4885

“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.