SCHEMBL22366901

SCHEMBL22366901

COC(=O)c1nc(-c2ccc(OC(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.43
▸ ALPL P05186 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PTGES O14684 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSP90AA1 P07900 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
SCHEMBL30185227 1.00 CRHR1 (0.43) CRHR1ALPLRAB9ANPC1MAPT
SCHEMBL24985437 0.88 FFAR4 (0.42) ALPLPTGESSCN9AKDM4ECYP1A2
SCHEMBL24986746 0.87 KDM4E (0.51) ALPLALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL24987778 0.85 ALPL (0.41) ALPLMAPTSCN9AALDH1A1KDM4E
SCHEMBL30185136 0.85 ALPL (0.41) ALPLMAPTSCN9AALDH1A1KDM4E
SCHEMBL24985050 0.85 ALPL (0.41) ALPLPTGESSCN9AKDM4ECYP1A2
SCHEMBL22366837 0.84 ALPL (0.40) ALPLSCN9AKDM4ECYP1A2CYP2D6
SCHEMBL24986668 0.84 KMT2A (0.38) ALPLRAB9AMAPTPTGESKMT2A
SCHEMBL30185090 0.84 ALPL (0.40) ALPLSCN9AKDM4ECYP1A2CYP2D6
SCHEMBL24987818 0.83 SCN9A (0.44) ALPLRAB9ANPC1MAPTSMN1; SMN2

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 CRHR1 4125/4885ALPL 2550/4885RAB9A 3865/4885

“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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