SCHEMBL21187445

SCHEMBL21187445

COc1ccc(-c2c(C)ncnc2-n2cnc3cc(Cl)cc(F)c32)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 3/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PDE2A O00408 4/20 0.36
▸ CRHR1 P34998 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33

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
SCHEMBL21187499 0.93 DRD1 (0.35) DRD1PTGS1PTGS2PDE2ACRHR1
SCHEMBL21187446 0.88 HSD11B1 (0.39) DRD1PTGS1PTGS2PDE2AHSD11B1
SCHEMBL21187501 0.84 GRM8 (0.35) PTGS1PTGS2ALDH1A1HTTGFER
SCHEMBL21187488 0.83 IDO1 (0.40) DRD1PDE2ACRHR1IDO1TDO2
SCHEMBL21182369 0.81 HSD11B1 (0.39) PTGS1PTGS2PDE2AHSD11B1
SCHEMBL21187470 0.79 PTGS1 (0.40) PTGS1PTGS2CRHR1ALDH1A1HTT
SCHEMBL21187459 0.78 DPP4 (0.39) PDE2AALDH1A1HSD11B1
SCHEMBL15688522 0.75 DRD1 (0.53) DRD1CRHR1
SCHEMBL20698033 0.74 CRHR1 (0.37) PTGS1PTGS2PDE2ACRHR1HSD11B1
SCHEMBL21187471 0.73 HSD11B1 (0.39) PTGS1PTGS2PDE2AHSD11B1

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 DRD1 1273/4885PTGS1 2855/4885PTGS2 1986/4885

“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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