SCHEMBL21187442

SCHEMBL21187442

Nc1cc(F)ccc1Nc1cnnc(Cl)c1-c1ccc(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ HDAC3 O15379 2/20 0.33
▸ NCOR1 O75376 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ NISCH Q9Y2I1 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL21187507 0.81 HSD11B1 (0.39) HSD11B1NISCHCLK1GRM2TP53
SCHEMBL22599087 0.80 EPAS1 (0.39) —
SCHEMBL20697907 0.70 HSD11B1 (0.39) MAPK14HSD11B1
SCHEMBL21187494 0.69 SLC6A4 (0.41) MAPK14HSD11B1
SCHEMBL21187574 0.69 FABP3 (0.38) MAPK14HSD11B1
SCHEMBL21187443 0.68 TDO2 (0.35) MAPK14TDO2NISCHCLK1GRM2
SCHEMBL21187444 0.67 MAPK14 (0.42) MAPK14HSD11B1GRM2
SCHEMBL21187570 0.65 NISCH (0.42) MAPK14TDO2HSD11B1NISCHCLK1
SCHEMBL4058691 0.65 GAA (0.46) MAPK14TDO2HDAC1TP53ALOX15
Hydrochloric Acid SCHEMBL9119272 0.61 KCNMA1 (0.49) HDAC1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — 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 (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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 MAPK14 3024/4885TDO2 497/4885HDAC3 185/4885

“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.

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