SCHEMBL4443752

SCHEMBL4443752

O=C(c1ccccc1B(O)O)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
RECQL P46063 1/20 0.62
HTT P42858 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
TP53BP1 Q12888 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPK10 P53779 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL29956909 0.96 HTT (0.64) TSHRRECQLHTTSMN1; SMN2GLA
SCHEMBL29954605 0.92 HTT (0.58) TSHRRECQLHTTSMN1; SMN2L3MBTL1
SCHEMBL6411599 0.86 L3MBTL1 (0.69) TSHRRECQLHTTHPGDPOLB
SCHEMBL29956307 0.84 ALDH1A1 (0.63) TSHRHTTSMN1; SMN2HPGDKMT2A
SCHEMBL3758627 0.84 ALDH1A1 (0.63) TSHRHTTSMN1; SMN2HPGDKMT2A
SCHEMBL10720608 0.84 TSHR (0.69) TSHRRECQLHTTSMN1; SMN2GLA
SCHEMBL1743230 0.83 ACHE (0.61) HTTSMN1; SMN2HPGDL3MBTL1TP53BP1
SCHEMBL30530619 0.79 HTT (0.89) TSHRRECQLHTTHPGDKMT2A
SCHEMBL1520613 0.79 HTT (0.89) TSHRRECQLHTTHPGDKMT2A
SCHEMBL10330512 0.78 HTT (0.86) TSHRRECQLHTTHPGDKMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718265-B1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC (US) 2015-12-16 EP claimed
US-9145366-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2015-09-29 US claimed
EP-2718265-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES Akebia Therapeutics Inc. (US) 2014-04-16 EP claimed
WO-2012170377-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-13 WO claimed
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US claimed
EP-4026829-A1 PROCESS FOR PREPARING N-[[5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINYL]CARBONYL]-GLYCINE FROM 5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINE CARBOXYLIC ACID Akebia Therapeutics Inc. (US) 2022-07-13 EP disclosed
EP-3683209-A1 PROCESS FOR PREPARING [(5-(3-CHLOROPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ACETIC ACID FROM 5-((3-CHLOROPHENYL)-3-CHLORO-PYRIDIN-2-YL)-NITRILE, AND PROCESS FOR PREPARING 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES Akebia Therapeutics Inc. (US) 2020-07-22 EP disclosed
EP-3290404-A1 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF [(5-(HALOPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ALKANOIC ACID DERIVATIVES Akebia Therapeutics Inc. (US) 2018-03-07 EP disclosed
EP-3000808-A1 5-ARYL OR 5-HETEROARYL SUBSTITUTED 3-HYDROXYPYRIDIN-2-YL-CARBONYLAMINO-ALKANOIC ACID DERIVATIVES AND SALTS THEREOF AS WELL AS THEIR PREPARATION FROM THE RESPECTIVE 3-HYDROXY-PICOLINIC ACID DERIVATIVES Akebia Therapeutics Inc. (US) 2016-03-30 EP disclosed
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 US disclosed
EP-2718265-B1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC (US) 2015-12-16 EP disclosed
EP-2698062-B1 Inhibitors of poly(adp-ribose)polymerase ABBVIE INC (US) 2015-06-24 EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 US disclosed
EP-2698062-A1 Inhibitors of poly(adp-ribose)polymerase Abbvie Inc. (US) 2014-02-19 EP disclosed
EP-2120579-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2013-11-13 EP disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 US disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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 (4 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-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 TSHR 4199/4885RECQL 432/4885HTT 3393/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 TSHR 4185/4885RECQL 107/4885HTT 1523/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 TSHR 4185/4885RECQL 107/4885HTT 1523/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 TSHR 2813/4885RECQL 3672/4885HTT 1193/4885

“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.