SCHEMBL24985683

SCHEMBL24985683

COC(=O)c1nc(-c2ccc(C(F)F)cc2)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ PKM P14618 2/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CTSA P10619 2/20 0.39
▸ DGAT1 O75907 2/20 0.38
▸ SOAT1 P35610 2/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL30185302 1.00 KDM4E (0.42) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL30185124 0.87 SMN1; SMN2 (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24985134 0.87 SMN1; SMN2 (0.47) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24985136 0.87 SMN1; SMN2 (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL30185318 0.85 MAPT (0.43) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24985641 0.85 MAPT (0.43) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24986811 0.85 KDM4E (0.41) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24984501 0.85 KDM4E (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24987028 0.85 KDM4E (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24984437 0.84 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10DHODH

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 KDM4E 1143/4885PKM 1121/4885RCE1 2548/4885

“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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