SCHEMBL20945174

SCHEMBL20945174

O=C(O)c1ccc(Cl)c(N2C(=O)C=CC2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 5/20 0.58
NPSR1 Q6W5P4 4/20 0.58
HTT P42858 3/20 0.58
HSP90AA1 P07900 3/20 0.58
HPGD P15428 3/20 0.58
G6PD P11413 2/20 0.58
LMNA P02545 2/20 0.58
PKM P14618 2/20 0.58
CCR6 P51684 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALOX12 P18054 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
TSHR P16473 1/20 0.53
DDAH1 O94760 1/20 0.53
MGLL Q99685 1/20 0.50
NSD2 O96028 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL24939849 0.86 TSHR (0.53) ALDH1A1TDP1NPSR1HTTHSP90AA1
SCHEMBL17301073 0.84 DDAH1 (0.58) ALDH1A1TDP1NPSR1HTTHSP90AA1
SCHEMBL21859084 0.81 ALDH1A1 (0.50) ALDH1A1TDP1NPSR1HTTHSP90AA1
SCHEMBL14502327 0.79 TDP1 (0.56) ALDH1A1TDP1NPSR1HPGDMEN1
SCHEMBL24939676 0.77 MYC (0.56) ALDH1A1TDP1NPSR1HTTHSP90AA1
SCHEMBL24939671 0.76 DDAH1 (0.53) ALDH1A1TDP1NPSR1HTTHSP90AA1
Hydrochloric Acid SCHEMBL11453925 0.76 DDAH1 (0.53) ALDH1A1TDP1NPSR1HTTHSP90AA1
SCHEMBL24938792 0.76 MYC (0.60) ALDH1A1TDP1NPSR1HTTHSP90AA1
SCHEMBL9155405 0.76 MGLL (0.59) ALDH1A1TDP1NPSR1HTTHSP90AA1
SCHEMBL21766258 0.76 GAA (0.56) ALDH1A1TDP1NPSR1HTTHSP90AA1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 324/4885TDP1 3339/4885NPSR1 3458/4885
US-20190127325-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS NFKBIA, NFKB1, NFRKB ALDH1A1 324/4885TDP1 3339/4885NPSR1 3458/4885
US-10759754-B2 Aminobenzoic acid derivatives for use as anti-inflammatory agents, anti-metastatic agents and/or anticancer agents NFKBIA, NFKB1, NFRKB ALDH1A1 324/4885TDP1 3339/4885NPSR1 3458/4885

“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.