SCHEMBL22366798

SCHEMBL22366798

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALPL P05186 4/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ CTSA P10619 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ SOAT1 P35610 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
SCHEMBL24984524 0.86 ESR1 (0.39) ALDH1A1KDM4ESMN1; SMN2HSD17B10ALPL
SCHEMBL22366962 0.85 KIT (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10ALPL
SCHEMBL30185221 0.85 KIT (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10ALPL
SCHEMBL24986811 0.85 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10S1PR4
SCHEMBL24985261 0.83 PTGS2 (0.41) ALDH1A1KDM4EGAANPSR1
SCHEMBL24984549 0.83 CTSA (0.47) CTSAMAPTNPSR1
SCHEMBL30185243 0.83 CTSA (0.47) CTSAMAPTNPSR1
SCHEMBL30185266 0.83 PTGS2 (0.41) ALDH1A1KDM4EGAANPSR1
SCHEMBL24986693 0.82 CTSA (0.48) ALDH1A1KDM4ESMN1; SMN2HSD17B10ALPL
SCHEMBL24985102 0.82 FFAR4 (0.45) ALDH1A1

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 4 patents. 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
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
EP-3700340-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF Dow Agrosciences LLC (US) 2020-09-02 — — EP disclosed
CN-111278283-A Pyridine and pyrimidine formate herbicides and methods of use thereof 美国陶氏益农公司 2020-06-12 — — CN 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 ALDH1A1 123/4885KDM4E 1143/4885SMN1; SMN2 3265/4885

“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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