SCHEMBL5883689

SCHEMBL5883689

Cn1ncc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 5/20 0.51
P4HTM Q9NXG6 1/20 0.46
PKM P14618 1/20 0.44
NR4A3 Q92570 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PTGER1 P34995 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
FOLH1 Q04609 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLA2G4B P0C869 1/20 0.41
SRD5A2 P31213 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL17012297 0.86 PRMT5 (0.42) ALKBH1P4HTMPKMALDH1A1PRMT5
SCHEMBL4701633 0.85 HPGD (0.50) ALDH1A1MEN1KMT2ATSHR
SCHEMBL14973158 0.84 MAOB (0.46) PTGER1MAOB
SCHEMBL19918850 0.83 MAPT (0.44) NR4A3ALDH1A1MEN1KMT2APLA2G4B
SCHEMBL10961245 0.81 ALKBH1 (0.41) ALKBH1PKMALDH1A1PRMT5WDR77
SCHEMBL13766725 0.79 CNR1 (0.47) PKM
SCHEMBL148140 0.79 NPC1 (0.48) ALKBH1ALDH1A1PTGER1MEN1KMT2A
SCHEMBL1758500 0.77 MAPK14 (0.44) ALKBH1P4HTMPKMALDH1A1FOLH1
SCHEMBL23087256 0.77 PRMT5 (0.45) PKMALDH1A1PRMT5WDR77CYP1A2
SCHEMBL31002249 0.77 PKM (0.44) PKMALDH1A1PRMT5WDR77CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1953145-B1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO (JP) 2015-11-04 EP disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
EP-1953145-A1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11- -HYDROXYSTEROID DEHYDROGENASE TYPE I Shionogi & Co., Ltd. (JP) 2008-08-06 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-7034035-B2 Fungicidal mono-, bi-, and tri-cycloheteroalkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2006-04-25 US disclosed
CN-1208321-C Fungicidal heterocyclic aromatic amides and their compositions methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-06-29 CN disclosed
US-20040034025-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2004-02-19 US disclosed
CN-1450993-A Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2003-10-22 CN disclosed
US-6521622-B1 Effective against plant pathogens and wood decaying fungi DOW AGROSCIENCES LLC 2003-02-18 US disclosed
US-20030022903-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-30 US disclosed
US-20030022902-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-30 US disclosed
US-20030018012-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-23 US disclosed
US-20030018052-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-23 US disclosed
CN-1390204-A Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGRO SCIENCES LLC (US) 2003-01-08 CN disclosed
US-20020177578-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2002-11-28 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 (7 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-20030018012-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, CYP1A1, NAT1 ALKBH1 960/4885P4HTM 397/4885PKM 1676/4885
US-20020177578-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, CYP1A1, NAT1 ALKBH1 960/4885P4HTM 397/4885PKM 1676/4885
US-20040034025-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation AADAC, NAT1, AHR ALKBH1 329/4885P4HTM 448/4885PKM 3282/4885
US-20030022903-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, NAT1, CYP1A1 ALKBH1 827/4885P4HTM 433/4885PKM 1782/4885
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 ALKBH1 2102/4885P4HTM 981/4885PKM 4451/4885
US-20030018052-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation NAT1, CYP4X1, CYP1A1 ALKBH1 777/4885P4HTM 404/4885PKM 1573/4885
US-20030022902-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation NAT1, CYP1A1, CYP4X1 ALKBH1 787/4885P4HTM 423/4885PKM 1797/4885

“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.