SCHEMBL18796250

SCHEMBL18796250

Cc1nc2c(F)c(F)ccc2cc1Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSPB1 P04792 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTT P42858 4/20 0.41
▸ MAPT P10636 4/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPK1 P28482 1/20 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
SCHEMBL18796007 0.85 NPSR1 (0.41) L3MBTL1HSPB1ALDH1A1TDP1HTT
SCHEMBL18796408 0.80 HTT (0.47) L3MBTL1HSPB1ALDH1A1HPGDTDP1
SCHEMBL21858445 0.79 NPSR1 (0.46) ALDH1A1HPGDTDP1HTTMAPT
SCHEMBL18796251 0.79 LMNA (0.39) ALDH1A1HPGDHTTMAPTPOLB
SCHEMBL21195829 0.78 AMY1A (0.37) HSPB1ALDH1A1TDP1HTTMAPT
SCHEMBL26440720 0.77 PDE2A (0.34) ALDH1A1HTTMAPTPOLBLMNA
SCHEMBL18795921 0.77 L3MBTL1 (0.54) L3MBTL1HSPB1ALDH1A1HPGDTDP1
SCHEMBL18796108 0.76 LMNA (0.32) ALDH1A1HTTMAPTPOLBLMNA
SCHEMBL18796130 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18796008 0.75 ALDH1A1 (0.32) ALDH1A1HTTMAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349897-B Trisubstituted silylphenoxyheterocycles and analogs 拜耳作物科学股份公司 2022-03-04 — — CN disclosed
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 2453/4885HSPB1 3905/4885ALDH1A1 3139/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT L3MBTL1 2453/4885HSPB1 3905/4885ALDH1A1 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.

Send feedback