SCHEMBL264483

SCHEMBL264483

CC(C)(C)OC(=O)NCCNC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
NR1H4 Q96RI1 1/20 0.47
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
NQO2 P16083 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
DGAT1 O75907 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL284764 0.94 SMN1; SMN2 (0.55) SMN1; SMN2ACACBACACANQO2HDAC3
SCHEMBL5663889 0.89 SMN1; SMN2 (0.50) SMN1; SMN2ACACBACACANQO2L3MBTL1
SCHEMBL16152246 0.89 SMN1; SMN2 (0.60) SMN1; SMN2ACACBACACANQO2L3MBTL1
SCHEMBL265731 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ACACBACACANQO2L3MBTL1
SCHEMBL284884 0.87 SMN1; SMN2 (0.59) SMN1; SMN2LMNATP53BP1
SCHEMBL1754810 0.87 POLB (0.58) SMN1; SMN2DGAT1POLBMALT1IDO1
SCHEMBL14679371 0.86 NPC1 (0.57) SMN1; SMN2HDAC8HDAC6KMT2APOLB
SCHEMBL13383556 0.86 KDM4E (0.63) SMN1; SMN2ACACBACACADGAT1LMNA
SCHEMBL5896700 0.85 DGAT1 (0.53) SMN1; SMN2NR1H4L3MBTL1DGAT1KMT2A
SCHEMBL5663105 0.85 TP53BP1 (0.62) SMN1; SMN2ACACBACACANQO2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388123-B2 LSD1-selective inhibitor having lysine structure KYOTO UNIVERSITY (JP) 2016-07-12 US disclosed
US-9388123-B2 LSD1-selective inhibitor having lysine structure KYOTO UNIVERSITY (JP) 2016-07-12 US disclosed
US-9388123-B2 LSD1-selective inhibitor having lysine structure KYOTO UNIVERSITY (JP) 2016-07-12 US disclosed
US-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KYOTO UNIVERSITY (JP) 2016-02-11 US disclosed
US-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KYOTO UNIVERSITY (JP) 2016-02-11 US disclosed
US-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KYOTO UNIVERSITY (JP) 2016-02-11 US disclosed
EP-2964654-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-01-13 EP disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-7659403-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-[methyl(3-(2-[(thiophen-2-ylmethyl)amino]ethylcarbamoyl)benzoyl)amino]ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2010-02-09 US disclosed
US-7632847-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(3-[3-(4-hydroxybenzylamino)propionylamino]benzoylamino)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2009-12-15 US disclosed
US-7632847-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(3-[3-(4-hydroxybenzylamino)propionylamino]benzoylamino)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2009-12-15 US disclosed
US-20080058374-A1 Crystalline forms of a biphenyl compound THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-06 US disclosed
US-20080058374-A1 Crystalline forms of a biphenyl compound THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-06 US disclosed
WO-2006098997-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
WO-2006099091-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
US-20060205778-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US disclosed
US-20060205784-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US disclosed
US-20060205777-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 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 (6 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-20060205778-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 SMN1; SMN2 3701/4885NR1H4 132/4885ACACB 1799/4885
US-20060205784-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 SMN1; SMN2 3695/4885NR1H4 130/4885ACACB 1916/4885
US-20060205777-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 SMN1; SMN2 3701/4885NR1H4 132/4885ACACB 1799/4885
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS SIRT2, SIRT1, SIRT6 SMN1; SMN2 1298/4885NR1H4 3285/4885ACACB 268/4885
US-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KDM1A, DOT1L, KDM1B SMN1; SMN2 1978/4885NR1H4 1952/4885ACACB 2638/4885
US-20080058374-A1 Crystalline forms of a biphenyl compound ADH1C, ALK, CYP26B1 SMN1; SMN2 3224/4885NR1H4 642/4885ACACB 234/4885

“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.