SCHEMBL30185221

SCHEMBL30185221

COC(=O)c1nc(-c2ccc(N)cc2F)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ PKM P14618 2/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ PDE7A Q13946 2/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ ALPL P05186 2/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ CTSA P10619 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL22366962 1.00 KIT (0.42) KITKDM4EPKMRCE1ALDH1A1
SCHEMBL24984523 0.93 KDM4E (0.39) KDM4EPKMRCE1ALDH1A1GAA
SCHEMBL30185123 0.93 KDM4E (0.39) KDM4EPKMRCE1ALDH1A1GAA
SCHEMBL24984524 0.86 ESR1 (0.39) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL22366798 0.85 ALDH1A1 (0.38) KDM4EPKMRCE1ALDH1A1GAA
SCHEMBL24984501 0.85 KDM4E (0.46) KDM4EPKMRCE1ALDH1A1GAA
SCHEMBL24985261 0.83 PTGS2 (0.41) KDM4EALDH1A1GAA
SCHEMBL30185266 0.83 PTGS2 (0.41) KDM4EALDH1A1GAA
SCHEMBL24984549 0.83 CTSA (0.47) CFTRCTSAMAPT
SCHEMBL30185243 0.83 CTSA (0.47) CFTRCTSAMAPT

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 KIT 2724/4885KDM4E 1143/4885PKM 1121/4885

“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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