SCHEMBL1436064

SCHEMBL1436064

CCCOc1cccc(C(C)=O)c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
MAOB P27338 9/20 0.62
NR1H4 Q96RI1 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
MAOA P21397 3/20 0.57
MAPT P10636 1/20 0.56
SMPD1 P17405 3/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL1436145 0.92 THRB (0.65) KMT2AMAOBNR1H4SMN1; SMN2MAOA
SCHEMBL5974513 0.91 MAOB (0.68) KMT2AMAOBSMN1; SMN2MAOAMEN1
SCHEMBL17134301 0.90 SMPD1 (0.69) KMT2AMAOBNR1H4SMN1; SMN2SMPD1
SCHEMBL10498884 0.89 SMPD1 (0.72) KMT2AMAOBNR1H4SMPD1MEN1
SCHEMBL1436250 0.89 SMPD1 (0.72) KMT2AMAOBNR1H4SMPD1MEN1
SCHEMBL10885907 0.89 SMPD1 (0.72) KMT2AMAOBNR1H4SMPD1MEN1
SCHEMBL10497708 0.89 SMPD1 (0.72) KMT2AMAOBNR1H4SMPD1MEN1
SCHEMBL10497658 0.89 SMPD1 (0.72) KMT2AMAOBNR1H4SMPD1MEN1
SCHEMBL14189708 0.89 SMPD1 (0.72) KMT2AMAOBNR1H4SMPD1MEN1
SCHEMBL11439572 0.89 SMPD1 (0.72) KMT2AMAOBNR1H4SMPD1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
EP-2885306-B1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2016-06-01 EP disclosed
EP-2885306-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-06-24 EP disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150157739-A1 Imidazo[2,1]thiazol-3-one derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
WO-2014026881-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-20 WO disclosed
EP-0699069-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-06 EP disclosed
EP-0612244-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1995-05-17 EP disclosed
WO-1994025013-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-10 WO disclosed
EP-0612244-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-08-31 EP disclosed
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1993008799-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
EP-0466408-A1 N-aryl-3-aryl-4-substituted-4,5-dihydro-1H-pyrazole-1-carboxamides and processes for their production ROHM AND HAAS COMPANY (US) 1992-01-15 EP disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 KMT2A 4556/4885MAOB 1091/4885NR1H4 639/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 KMT2A 4556/4885MAOB 1091/4885NR1H4 639/4885
US-20150157739-A1 Imidazo[2,1]thiazol-3-one derivatives MAPT, SNCA, PARK7 KMT2A 4778/4885MAOB 1114/4885NR1H4 2307/4885

“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.