SCHEMBL30185186

SCHEMBL30185186

O=C(O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EIF4E P06730 2/20 0.43
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MRGPRX4 Q96LA9 7/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL22366919 1.00 NPSR1 (0.44) NPSR1EIF4EGLAHPGDMRGPRX4
SCHEMBL30185281 0.92 CTSA (0.43) NPSR1EIF4EGLAHPGDMRGPRX4
SCHEMBL24985105 0.92 CTSA (0.43) NPSR1EIF4EGLAHPGDMRGPRX4
SCHEMBL24985545 0.91 PIN1 (0.40) NPSR1EIF4EGLAHPGDMRGPRX4
SCHEMBL30185097 0.91 PIN1 (0.40) NPSR1EIF4EGLAHPGDMRGPRX4
SCHEMBL24985646 0.87 CTSA (0.44) HPGDCTSA
SCHEMBL30185289 0.87 CTSA (0.44) HPGDCTSA
SCHEMBL22366934 0.85 NPSR1 (0.43) NPSR1MRGPRX4HSD11B1CTSA
SCHEMBL30185257 0.85 NPSR1 (0.43) NPSR1MRGPRX4HSD11B1CTSA
SCHEMBL24985643 0.81 KCNK2 (0.37) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — 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 (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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT NPSR1 2945/4885EIF4E 3624/4885GLA 3979/4885

“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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