SCHEMBL5215909

SCHEMBL5215909

NC(=O)C1Cc2ccccc2OO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
AOC2 O75106 5/20 0.42
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
DAO P14920 1/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3568561 0.87 HPGD (0.46) HPGDTSHRAOC2MAOAMAOB
SCHEMBL1519282 0.86 SMN1; SMN2 (0.51) HPGDTSHRAOC2MAOAMAOB
SCHEMBL3885950 0.84 HPGD (0.44) HPGDTSHRAOC2MAOAMAOB
SCHEMBL16296612 0.83 POLB (0.43) HPGDTSHRAOC2MAOAMAOB
SCHEMBL29974170 0.81 HPGD (0.59) HPGDTSHRAOC2MAOAMAOB
SCHEMBL860446 0.81 HPGD (0.59) HPGDTSHRAOC2MAOAMAOB
SCHEMBL1519251 0.77 SIGMAR1 (0.45) HPGDTSHR
SCHEMBL25798208 0.75 HPGD (0.53) HPGDTSHRHDAC3HDAC4HDAC1
SCHEMBL28551393 0.75 LMNA (0.42) HPGDTSHRAOC2MAOAMAOB
SCHEMBL10664459 0.73 MEN1 (0.36) HPGDTSHRAOC2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 US disclosed
EP-3003302-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES The Scripps Research Institute (US) 2016-04-13 EP disclosed
WO-2014200682-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-12-18 WO disclosed
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
CN-1142161-C Dihydrobenzodioxine carboxamide and ketone derivatives as 5-HT 4 receptor antagonists - 2004-03-17 CN disclosed
CN-1315950-A Dihydrobenzodioxine carboxamide and ketone derivatives as 5-HT 4 receptor antagonists HOFFMANN LA ROCHE (CH) 2001-10-03 CN disclosed
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP disclosed
US-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed
US-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed
US-5602129-A GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-11 US disclosed
US-5576448-A GASTROINTESTINAL DISORDERS, ANTIEMETICS, ANTIPSYCHOTICS OR NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1996-11-19 US disclosed
US-5565582-A GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-10-15 US disclosed
US-5554772-A CHEMICAL INTERMEDIATES; GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-10 US disclosed
US-5552553-A CHEMICAL INTERMEDIATES FOR LAXATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-03 US disclosed
US-5536733-A GASTROINTESTINAL JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-16 US disclosed
US-5521314-A CHEMICAL INTERMEDIATES FOR CENTRAL NERVOUS SYSTEM, ANTIEMETICS, ANTIPSYCHOTIC AGENTS OR NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-28 US disclosed
EP-0389037-B1 N-(3-hydroxy-4-piperidinyl)(dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzodioxin)carboxamide derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-09-20 EP disclosed
US-5374637-A Stimulate gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-20 US disclosed
EP-0389037-A1 N-(3-hydroxy-4-piperidinyl)(dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzodioxin)carboxamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-09-26 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-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 HPGD 1753/4885TSHR 3523/4885AOC2 4800/4885

“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.