SCHEMBL2830882

SCHEMBL2830882

COc1ccnc(CCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.53
NOS2 P35228 4/20 0.53
NOS3 P29474 2/20 0.53
POLB P06746 1/20 0.53
FFAR1 O14842 3/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GPR17 Q13304 1/20 0.47
LMNA P02545 2/20 0.47
DYRK1A Q13627 2/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 1/20 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
SCHEMBL7715426 0.89 NOS2 (0.54) NOS1NOS2NOS3KDM4ECYP1A2
SCHEMBL2835238 0.86 NOS1 (0.51) NOS1NOS2NOS3ALDH1A1HSD17B10
SCHEMBL6879140 0.86 MITF (0.45) FFAR1KDM4ECYP1A2ALDH1A1HPGD
SCHEMBL15743142 0.83 NOS3 (0.56) NOS1NOS2NOS3KDM4ECYP1A2
SCHEMBL10743352 0.82 NOS1 (0.48) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL4104275 0.80 NOS2 (0.59) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL2964327 0.78 FFAR1 (0.46) FFAR1CCR1CCR5CCR8NPSR1
SCHEMBL6844608 0.78 NOS2 (0.61) NOS1NOS2NOS3KDM4ELMNA
SCHEMBL592246 0.77 MTNR1A (0.67) POLBKDM4ECYP1A2HPGDLMNA
SCHEMBL7230462 0.77 NOS1 (0.56) NOS1NOS2NOS3KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014079730-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
WO-2014079728-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-08-26 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7709488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2010-05-04 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090036482-A1 Imidazopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2009-02-05 US disclosed
US-7468377-B2 Imidazopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-12-23 US disclosed
CN-1751043-A Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-03-22 CN disclosed
EP-1599473-A1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2005-11-30 EP disclosed
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2005-08-04 US disclosed
CN-1642955-A Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2005-07-20 CN disclosed
WO-2005030769-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 WO disclosed
WO-2005030771-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 WO disclosed
WO-2005030770-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 WO disclosed
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2004076451-A1 IMIDAZO[4,5-B]QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2004-09-10 WO disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 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 (5 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 NOS1 919/4885NOS2 887/4885NOS3 1205/4885
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved NOS2, PNP, PTGIS NOS1 4/4885NOS2 1/4885NOS3 6/4885
US-20090036482-A1 Imidazopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 NOS1 919/4885NOS2 887/4885NOS3 1205/4885

“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.