SCHEMBL4701685

SCHEMBL4701685

O=C(O)c1cc(O)cnc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
PTGS2 P35354 2/20 0.45
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ASPH Q12797 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM8 Q8N371 1/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38

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
SCHEMBL7813776 0.80 MGAM (0.44) CA12CA1CA2CA7CA9
SCHEMBL19857472 0.80 KDM4E (0.45) CA12CA1CA2CA7CA9
SCHEMBL10414487 0.78 KDM4E (0.48) PTGS2ALDH1A1KDM4EASPHHSD17B10
SCHEMBL429271 0.78 AKR1C3 (0.48) ALDH1A1KDM4EASPHHSD17B10KDM8
SCHEMBL5045651 0.78 CSNK2A1 (0.48) ALDH1A1KDM4EASPHKDM8GABRP
SCHEMBL329752 0.78 CA1 (0.48) CA1CA2ALDH1A1TSHRKDM4E
SCHEMBL4450948 0.78 KDM4E (0.46) CA1CA2ALDH1A1KDM4EASPH
SCHEMBL3982338 0.78 KDM4E (0.37) CA12CA1CA2CA7CA9
SCHEMBL4719997 0.78 SMN1; SMN2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL841657 0.78 KMT2A (0.47) CA12CA1CA2CA7CA9

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 27 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-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 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
US-6927225-B2 Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-08-09 US disclosed
EP-1516875-A1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2005-03-23 EP disclosed
EP-1516874-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2005-03-23 EP disclosed
EP-1493733-A2 Fungicidal heterocyclic aromatic amides, their compositions and methods of use Dow AgroSciences LLC (US) 2005-01-05 EP disclosed
EP-1486489-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2004-12-15 EP 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
EP-1234824-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234823-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234826-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234825-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234827-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1204643-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-05-15 EP disclosed
US-6355660-B1 HETEROCYCLIC FUNGICIDES SUBSTITUTED WITH AMIDE GROUPS DOW AGROSCIENCES LLC 2002-03-12 US disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed
EP-0225172-A1 Process for the preparation of 5-chloro and 5-bromo-2-hydroxynicotinicacids A.H. ROBINS COMPANY, INCORPORATED (US) 1987-06-10 EP 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 (1 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-20020177578-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, CYP1A1, NAT1 CA12 2199/4885CA1 653/4885CA2 463/4885

“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.