SCHEMBL30185149

SCHEMBL30185149

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ncc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.46
▸ MAPT P10636 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ LMNA P02545 3/20 0.39

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
SCHEMBL24987876 1.00 MRGPRX4 (0.46) MRGPRX4MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL30185255 0.90 MRGPRX4 (0.46) MRGPRX4MAPTNPSR1MAPK1GAA
SCHEMBL24987866 0.90 MRGPRX4 (0.46) MRGPRX4MAPTNPSR1MAPK1GAA
SCHEMBL22366823 0.88 LRRK2 (0.47) MRGPRX4MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL24984357 0.82 MRGPRX4 (0.45) MRGPRX4MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL24986742 0.81 MRGPRX4 (0.42) MRGPRX4MAPTLRRK2HDAC3HDAC1
SCHEMBL30185239 0.80 LRRK2 (0.45) MRGPRX4MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL24986659 0.80 LRRK2 (0.45) MRGPRX4MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL24985506 0.79 MRGPRX4 (0.43) MRGPRX4MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL24987896 0.78 NPSR1 (0.45) MRGPRX4MAPTCYP2C9CYP2C19CYP1A2

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 1870/4885MAPT 3017/4885CYP2C9 171/4885

“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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