SCHEMBL30185271

SCHEMBL30185271

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)c(F)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CFTR P13569 1/20 0.40
MAPT P10636 2/20 0.40
CTSA P10619 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL22366904 1.00 MRGPRX4 (0.43) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL22366822 0.90 CFTR (0.43) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL22366885 0.90 CYP1A2 (0.43) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL30185257 0.85 NPSR1 (0.43) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL30185310 0.85 NPSR1 (0.43) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL24985754 0.85 NPSR1 (0.43) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL22366934 0.85 NPSR1 (0.43) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL30185202 0.84 NPSR1 (0.45) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL24987896 0.84 NPSR1 (0.45) MRGPRX4NPSR1CFTRMAPTCTSA
SCHEMBL22366869 0.83 CFTR (0.43) MRGPRX4NPSR1CFTRMAPTCYP1A2

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 MRGPRX4 1870/4885NPSR1 2945/4885CFTR 4476/4885

“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.