SCHEMBL6630643

SCHEMBL6630643

CC(=NO)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MGLL Q99685 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 2/20 0.41
AGTR1 P30556 1/20 0.41
MEN1 O00255 3/20 0.40
TYMP P19971 1/20 0.40
TRPA1 O75762 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
SCHEMBL14395308 1.00 NPC1 (0.50) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL31080818 1.00 NPC1 (0.50) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL18517293 0.80 NPC1 (0.49) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL28127811 0.80 NPC1 (0.49) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL8664564 0.77 CES2 (0.43) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL18938849 0.77 SMN1; SMN2 (0.46) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL6815533 0.77 SMN1; SMN2 (0.46) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL8664565 0.77 CES2 (0.43) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL17842362 0.76 CES2 (0.52) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL14127160 0.75 CES2 (0.56) NPC1SMN1; SMN2RAB9ACES2CES1

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-20230172206-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II BASF SE (DE) 2023-06-08 US disclosed
CN-115484821-A Use of strobilurin-type compounds to control phytopathogenic fungi containing the amino acid substitution F129L in the mitochondrial cytochrome b protein conferring tolerance to Qo inhibitor III 巴斯夫欧洲公司 2022-12-16 CN disclosed
CN-115484820-A Use of strobilurin-type compounds to control phytopathogenic fungi containing in the mitochondrial cytochrome b protein an amino acid substitution F129L conferring tolerance to Qo inhibitor I 巴斯夫欧洲公司 2022-12-16 CN disclosed
CN-115460920-A Use of strobilurin-type compounds to control phytopathogenic fungi containing in the mitochondrial cytochrome b protein an amino acid substitution F129L conferring tolerance to Qo inhibitor II 巴斯夫欧洲公司 2022-12-09 CN disclosed
CN-115460919-A Use of strobilurin-type compounds to control phytopathogenic fungi containing the amino acid substitution F129L in the mitochondrial cytochrome b protein conferring tolerance to Qo inhibitors IV 巴斯夫欧洲公司 2022-12-09 CN disclosed
EP-1385847-A2 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SmithKline Beecham Corporation (US) 2004-02-04 EP disclosed
WO-2002088124-A2 PYRAZOLO'1,5-A!PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-07 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-20230172206-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II COX5B, SQOR, UQCRB NPC1 1487/4885SMN1; SMN2 3370/4885RAB9A 448/4885

“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.