SCHEMBL18796129

SCHEMBL18796129

Fc1cccc(Oc2cnc3ccccc3n2)c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 10/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ LMNA P02545 3/20 0.42
▸ RHOA P61586 1/20 0.41
▸ MAP4K4 O95819 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PTGER3 P43115 2/20 0.37

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
SCHEMBL18796121 0.81 MAP4K4 (0.37) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL18796180 0.80 HTT (0.66) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL18796411 0.78 HTT (0.60) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL18796277 0.78 HTT (0.60) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11030583 0.75 HTT (0.77) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL18796221 0.75 L3MBTL1 (0.42) HTTALDH1A1L3MBTL1HPGDLMNA
SCHEMBL8712114 0.74 HTT (0.68) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL18796389 0.74 ALDH1A1 (0.38) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL18796141 0.73 HTT (1.00) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9180978 0.73 HTT (0.66) HTTMEN1KMT2AALDH1A1L3MBTL1

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 3740/4885MEN1 2593/4885KMT2A 1780/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT HTT 3740/4885MEN1 2593/4885KMT2A 1780/4885

“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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