SCHEMBL3339259

SCHEMBL3339259

NNC(=O)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.61
AOC2 O75106 1/20 0.56
MGLL Q99685 9/20 0.56
FAAH O00519 4/20 0.56
KDM4E B2RXH2 3/20 0.54
HSP90AA1 P07900 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
MPO P05164 2/20 0.52
CYP3A4 P08684 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM5A P29375 1/20 0.52
BLM P54132 1/20 0.52
GFER P55789 1/20 0.52

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
Hydrochloric Acid SCHEMBL17969213 0.98 DDAH1 (0.59) DDAH1AOC2MGLLFAAHKDM4E
Trifluoroacetic Acid SCHEMBL20945171 0.89 DDAH1 (0.54) DDAH1AOC2MGLLFAAHKDM4E
SCHEMBL10968265 0.83 DDAH1 (0.63) DDAH1MGLLFAAHHSP90AA1NPSR1
SCHEMBL17235983 0.82 CYP1A2 (0.57) DDAH1MGLLFAAHKDM4EHSP90AA1
SCHEMBL14000501 0.81 DDAH1 (0.61) DDAH1MGLLFAAHHSP90AA1NPSR1
SCHEMBL10973003 0.81 DDAH1 (0.56) DDAH1MGLLFAAHHSP90AA1NPSR1
SCHEMBL17231644 0.81 HPGD (0.58) DDAH1MGLLFAAHHSP90AA1NPSR1
SCHEMBL22520781 0.81 DDAH1 (0.56) DDAH1MGLLFAAHHSP90AA1NPSR1
SCHEMBL8404261 0.80 DDAH1 (0.59) DDAH1MGLLFAAHKDM4EHSP90AA1
SCHEMBL12268629 0.80 DDAH1 (0.59) DDAH1MGLLFAAHKDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002222-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO, S.E.C. (CA) 2021-01-07 US disclosed
EP-3442943-B1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO S E C (CA) 2020-10-07 EP disclosed
US-10759754-B2 Aminobenzoic acid derivatives for use as anti-inflammatory agents, anti-metastatic agents and/or anticancer agents 3R VALO, S.E.C. (CA) 2020-09-01 US disclosed
US-20190127325-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS UNIVERSITÉ DU QUÉBEC À TROIS-RIVIÈRES (CA) 2019-05-02 US disclosed
WO-2017177316-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO, S.E.C. (CA) 2017-10-19 WO disclosed
EP-2152312-B1 LOW-VISCOUS ANTHRACYCLINE FORMULATION KTB TUMORFORSCHUNGS GMBH (DE) 2014-12-31 EP disclosed
US-8703724-B2 Low-viscous anthracycline formulation KTB TUMORFORSCHUNGS GMBH (DE) 2014-04-22 US disclosed
US-20100152273-A1 LOW-VISCOUS ANTHRACYCLINE FORMULATION KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2010-06-17 US disclosed
EP-2152312-A1 LOW-VISCOUS ANTHRACYCLINE FORMULATION KTB Tumorforschungsgesellschaft mbH (DE) 2010-02-17 EP disclosed
WO-2008138646-A1 LOW-VISCOUS ANTHRACYCLINE FORMULATION KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2008-11-20 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 (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-20210002222-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS NFKBIA, NFKB1, NFRKB DDAH1 1457/4885AOC2 2224/4885MGLL 4510/4885
US-20190127325-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS NFKBIA, NFKB1, NFRKB DDAH1 1457/4885AOC2 2224/4885MGLL 4510/4885
US-10759754-B2 Aminobenzoic acid derivatives for use as anti-inflammatory agents, anti-metastatic agents and/or anticancer agents NFKBIA, NFKB1, NFRKB DDAH1 1457/4885AOC2 2224/4885MGLL 4510/4885
US-20100152273-A1 LOW-VISCOUS ANTHRACYCLINE FORMULATION TOP2A, TOP1, TOP2B DDAH1 4334/4885AOC2 3898/4885MGLL 4658/4885

“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.