SCHEMBL429149

SCHEMBL429149

Cc1cccc(C)c1N[C]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 3/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 3/20 0.38
CYP2C9 P11712 2/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2A6 P11509 1/20 0.38
POLB P06746 3/20 0.37
ACHE P22303 1/20 0.36
MAPT P10636 3/20 0.36
SCN3A Q9NY46 2/20 0.36
LMNA P02545 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL7528734 0.85 GAA (0.46) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL7532745 0.83 MAPK1 (0.48) L3MBTL1KMT2ACYP1A2TSHRMEN1
SCHEMBL7533728 0.83 POLB (0.48) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL7524624 0.82 GABRA1 (0.46) ALDH1A1L3MBTL1KMT2ACYP1A2TSHR
SCHEMBL11174526 0.75 TSHR (0.41) ALDH1A1L3MBTL1KMT2ACYP1A2TSHR
SCHEMBL2093538 0.75 RAPGEF4 (0.52) ALDH1A1LMNAFFAR4
SCHEMBL1356506 0.75 KEAP1 (0.52) ALDH1A1KMT2ACYP1A2TSHRMEN1
SCHEMBL225740 0.73 NPC1 (0.50) ALDH1A1L3MBTL1TSHRPOLBACHE
SCHEMBL10533625 0.72 GAA (0.37) ALDH1A1KMT2ACYP1A2TSHRMEN1
SCHEMBL7527202 0.71 GABRA1 (0.47) ALDH1A1TSHRCYP2C19POLBSCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-5190946-A Piperazine compounds restore sensitivity to drug resistant cancer cells HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US claimed
EP-0443569-A2 Diamine derivatives and their use in oncology F. HOFFMANN-LA ROCHE AG (CH) 1991-08-28 EP claimed
EP-0358749-A1 1,4-SUBSTITUTED-2,3,5,6-TETRAHYDRO 1,3,6]TRIAZOCINO 1,2-a]BENZIMIDAZOLES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1990-03-21 EP claimed
US-4882323-A ANTIARRYTHMIA AGENT INTERMEDIATES AMERICAN HOME PRODUCTS (US) 1989-11-21 US claimed
WO-1989008111-A1 1,4-SUBSTITUTED-2,3,5,6-TETRAHYDRO[1,3,6]TRIAZOCINO[1,2-a]BENZIMIDAZOLES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1989-09-08 WO claimed
CN-110038010-A A kind of bitter taste detests preparation and preparation method thereof and bite preventing pen 瑞雅科医药(北京)有限公司 2019-07-23 CN disclosed
EP-3496764-A1 PRODUCTION OF BITTER PRINCIPLE DERIVATIVES Julius-Maximilians-Universitaet Wuerzburg (DE) 2019-06-19 EP disclosed
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
CN-1610830-A Use of specific T2R taste receptors to identify compounds that block bitter taste SENOMYX INC (US) 2005-04-27 CN disclosed
EP-0443569-A2 Diamine derivatives and their use in oncology F. HOFFMANN-LA ROCHE AG (CH) 1991-08-28 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
US-4935515-A ANTIARRHYTHMIA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-06-19 US disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
US-4882323-A ANTIARRYTHMIA AGENT INTERMEDIATES AMERICAN HOME PRODUCTS (US) 1989-11-21 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 ALDH1A1 1167/4885L3MBTL1 1761/4885KMT2A 3094/4885

“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.