SCHEMBL4424813

SCHEMBL4424813

CC(C)(C)OC(=O)NCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HRH3 Q9Y5N1 1/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 4/20 0.50
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
NPC1 O15118 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CNR1 P21554 1/20 0.50
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL4036324 0.90 SMN1; SMN2 (0.48) MEN1KMT2AHRH3LMNATDP1
SCHEMBL4036157 0.90 TDP1 (0.48) MEN1KMT2AHRH3LMNATDP1
SCHEMBL18748502 0.87 CKS1B (0.47) MEN1KMT2AHRH3LMNATDP1
SCHEMBL29263680 0.87 SMN1; SMN2 (0.48) LMNATDP1SMN1; SMN2NPSR1ALOX15
SCHEMBL23291283 0.86 CA12 (0.48) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL30427908 0.86 CA12 (0.48) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL4678395 0.85 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL29611056 0.85 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL18381284 0.85 CA1 (0.53) MEN1KMT2ATDP1SMN1; SMN2ALOX15
SCHEMBL8285006 0.85 RAB9A (0.57) HRH3LMNATDP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2021-09-30 US disclosed
CN-107709301-A Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2018-02-16 CN disclosed
US-9717709-B2 Substituted pyrazoles as heat shock transcription factor activators DUKE UNIVERSITY (US) 2017-08-01 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO disclosed
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5491132-A HYPOTENSIVE AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-13 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
CN-1063691-A Amino acid derivatives and preparation method thereof and medicinal compositions FUJISAWA PHARMACEUTICAL CO (JP) 1992-08-19 CN disclosed
EP-0476515-A1 New amino acid derivatives, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 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 (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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 MEN1 203/4885KMT2A 3139/4885HRH3 2982/4885
US-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 MEN1 3890/4885KMT2A 1757/4885HRH3 4080/4885

“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.