SCHEMBL18796408

SCHEMBL18796408

O=[N+]([O-])c1ccccc1Oc1cnc2c(F)c(F)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ PIN1 Q13526 2/20 0.44
▸ HSPB1 P04792 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL18795920 0.86 MAPT (0.40) HTTMAPTALDH1A1GAAPIN1
SCHEMBL18796154 0.80 GAA (0.51) HTTMAPTALDH1A1GAAPIN1
SCHEMBL18796009 0.80 KDM4E (0.35) HTTMAPTGAAL3MBTL1NPC1
SCHEMBL18796250 0.80 L3MBTL1 (0.47) HTTMAPTALDH1A1GAAPOLB
SCHEMBL18796241 0.78 HTT (0.63) HTTMAPTALDH1A1GAAPOLB
SCHEMBL18796147 0.76 EGLN1 (0.38) MAPTPIN1L3MBTL1NPC1RAB9A
SCHEMBL18796115 0.76 EGLN1 (0.38) MAPTGAAKDM4E
SCHEMBL1341551 0.74 HSPB1 (0.52) HTTMAPTALDH1A1GAAPOLB
SCHEMBL21858453 0.74 MAPT (0.41) HTTMAPTALDH1A1GAAPOLB
SCHEMBL9390091 0.74 HPGD (0.54) HTTMAPTALDH1A1GAAPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368514-B1 TRISUBSTITUTED SILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AG (DE) 2021-08-18 — — EP disclosed
US-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-16 — — US disclosed
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 — — US disclosed
EP-3368514-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 — — EP disclosed
WO-2017072283-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — 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 (2 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-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues PIK3C3, ERG28, DDT HTT 3740/4885MAPT 3403/4885ALDH1A1 3139/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT HTT 3740/4885MAPT 3403/4885ALDH1A1 3139/4885

“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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