SCHEMBL18796221

SCHEMBL18796221

Cc1nc2ccccc2nc1Oc1cccc(F)c1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ LCK P06239 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL18795926 0.82 ALDH1A1 (0.34) ALDH1A1ESR1
SCHEMBL18796155 0.81 SMN1; SMN2 (0.51) L3MBTL1ALDH1A1ESR1KDM4EPOLB
SCHEMBL18796404 0.79 LCK (0.52) L3MBTL1TSHRALDH1A1KDM4EPOLB
SCHEMBL18796028 0.78 SCD (0.43) L3MBTL1TSHRKDM4EPOLBHPGD
SCHEMBL18796232 0.78 POLB (0.42) L3MBTL1TSHRKDM4EPOLBHPGD
SCHEMBL24287258 0.75 ALDH1A1 (0.50) L3MBTL1TSHRALDH1A1KDM4EHPGD
SCHEMBL18796129 0.75 HTT (0.57) L3MBTL1ALDH1A1HPGDMAPTLMNA
SCHEMBL18796308 0.74 EGFR (0.47) L3MBTL1TSHRALDH1A1KDM4EPOLB
SCHEMBL18796389 0.72 ALDH1A1 (0.38) L3MBTL1ALDH1A1ESR1KDM4EMAPK1
SCHEMBL18795948 0.72 LYN (0.33) ALDH1A1ESR1POLBMAPTLMNA

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 L3MBTL1 2453/4885TSHR 4289/4885ALDH1A1 3139/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT L3MBTL1 2453/4885TSHR 4289/4885ALDH1A1 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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