SCHEMBL5382589

SCHEMBL5382589

O=C1C2=CCCCC2C(=O)N1c1cc(O)c(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPOX P50336 9/20 0.39
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL9450467 0.78 PPOX (0.33) PPOX
SCHEMBL5391521 0.78 PPOX (0.31) PPOXNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9450461 0.78 PPOX (0.33) PPOX
SCHEMBL5388172 0.76 GRIN2D (0.33) —
SCHEMBL9450472 0.76 PPOX (0.36) PPOX
SCHEMBL9450456 0.75 PPOX (0.36) PPOX
SCHEMBL7513087 0.75 KMT2A (0.36) NPC1RAB9AHPGD
SCHEMBL7816420 0.74 PPOX (0.65) PPOXNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11869568 0.71 HSD11B1 (0.33) —
SCHEMBL5318631 0.70 GRM7 (0.46) PPOX

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39590-E1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED (US) 2007-04-24 — — US disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 — — US disclosed
EP-1030843-A4 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2002-11-06 — — EP disclosed
US-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED 2002-09-19 — — US disclosed
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 — — US disclosed
EP-1030843-A1 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-08-30 — — EP disclosed
WO-1999021837-A1 SUBSTITUTED BENZENE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL AND DEFOLIANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1999-05-06 — — WO 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-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them DDT, CYP4X1, CYP1A1 PPOX 460/4885NPC1 3757/4885RAB9A 1851/4885

“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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