SCHEMBL1747657

SCHEMBL1747657

Cc1cnc(C(=O)O)c(C(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 1/20 0.36
LDHA P00338 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36

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
SCHEMBL1769880 0.83 KDM4E (0.39) CYP3A4ACHEKDM4EKMT2AALDH1A1
SCHEMBL7788149 0.83 GABRP (0.38) CYP3A4KDM4EKMT2AALDH1A1LDHA
SCHEMBL29065888 0.80 KDM4E (0.37) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL10586185 0.80 KMT2A (0.46) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL11379033 0.79 HCAR2 (0.41) KDM4EKMT2AALDH1A1SMN1; SMN2GABRP
SCHEMBL27784703 0.78 SMN1; SMN2 (0.48) CYP3A4ACHEKDM4EKMT2AALDH1A1
SCHEMBL10547988 0.78 KDM4E (0.46) CYP3A4ACHEKDM4EKMT2AALDH1A1
SCHEMBL27976864 0.77 CA12 (0.44) CYP3A4KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL7666078 0.75 LDHA (0.36) KDM4EKMT2AALDH1A1MAPK1LDHA
SCHEMBL6991333 0.74 LDHA (0.44) KDM4EKMT2AALDH1A1SMN1; SMN2LDHA

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
EP-1352629-B1 Use of a pyridine-dicarboxylic acid derivative or a salt thereof to stimulate or induce keratinic fiber growth and/or to prevent its loss OREAL (FR) 2011-06-22 EP claimed
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS L'OREAL 2009-08-27 US claimed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
CN-110072853-B Herbicidal phenyltriazolinones 巴斯夫欧洲公司 2023-07-25 CN disclosed
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 US disclosed
EP-2403831-B1 SYNTHESIS OF (4aS,7aS)-OCTAHYDRO-1H-PYRROLOÝ3,4-b¨PYRIDINE ITALIANA SINT SPA (IT) 2015-05-20 EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 US disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
EP-2403831-A1 SYNTHESIS OF (4aS,7aS)-OCTAHYDRO-1H-PYRROLOÝ3,4-b¨PYRIDINE F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2012-01-11 EP disclosed
WO-2010100215-A1 SYNTHESIS OF (4aS,7aS)-OCTAHYDRO-1H-PYRROLO[3,4-b]PYRIDINE F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2010-09-10 WO 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
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO disclosed
EP-0261175-A4 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH. FIBERLOK INC (US) 1988-07-14 EP disclosed
EP-0261175-A1 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH FIBERLOK, INC. (US) 1988-03-30 EP disclosed
WO-1987005639-A1 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH FIBERLOK, INC. (US) 1987-09-24 WO 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-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 CYP3A4 3253/4885ACHE 2750/4885KDM4E 2763/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 CYP3A4 4815/4885ACHE 3380/4885KDM4E 4026/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 CYP3A4 42/4885ACHE 1145/4885KDM4E 2184/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 CYP3A4 235/4885ACHE 2101/4885KDM4E 4320/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 CYP3A4 140/4885ACHE 2825/4885KDM4E 3992/4885
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS AKR1C3, MC1R, KRT18 CYP3A4 3702/4885ACHE 4031/4885KDM4E 1459/4885

“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.