SCHEMBL163000

SCHEMBL163000

O=[N+]([O-])c1c(Cl)cc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.69
TSHR P16473 4/20 0.51
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 1/20 0.47
CASP6 P55212 1/20 0.46
S100A4 P26447 2/20 0.43
HPRT1 P00492 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TLR9 Q9NR96 2/20 0.41
XBP1 P17861 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NCEH1 Q6PIU2 1/20 0.40
HNF4A P41235 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
Biphenyl SCHEMBL746707 0.93 CYP3A4 (0.61) CYP3A4TSHRALDH1A1TDP1CASP6
SCHEMBL57759 0.82 CYP3A4 (1.00) CYP3A4TSHRALDH1A1TDP1CASP6
SCHEMBL29450703 0.82 CYP3A4 (1.00) CYP3A4TSHRALDH1A1TDP1CASP6
SCHEMBL188171 0.79 CYP3A4 (0.71) CYP3A4TSHRALDH1A1TDP1CASP6
SCHEMBL3699674 0.79 TSHR (0.62) CYP3A4TSHRALDH1A1TDP1S100A4
SCHEMBL7118487 0.78 CYP3A4 (0.69) CYP3A4TSHRALDH1A1TDP1CASP6
SCHEMBL10040171 0.77 ALDH1A1 (0.52) CYP3A4TSHRALDH1A1TDP1S100A4
SCHEMBL3707683 0.75 CYP3A4 (0.59) CYP3A4TSHRALDH1A1TDP1CASP6
SCHEMBL162999 0.75 CYP3A4 (0.59) CYP3A4TSHRALDH1A1TDP1CASP6
SCHEMBL5836018 0.75 CYP3A4 (0.59) CYP3A4TSHRALDH1A1TDP1CASP6

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 1497 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240188569-A1 NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS AGROVENTURES LLC (US) 2024-06-13 US claimed
US-20240138408-A1 COMPOSITION COMPRISING BENZYLAMINE ACARICIDE AND USE THEREOF SHANGDONG KANGIAO BIO-TECHNOLOGY CO., LTD (CN) 2024-05-02 US claimed
EP-4323496-A1 NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS AGROVENTURES S.R.L. (IT) 2024-02-21 EP claimed
CN-117203324-A Novel yeast strains and their use in controlling plant pathogens 爱农创投有限公司 2023-12-08 CN claimed
EP-3614845-B1 FUNGICIDAL COMBINATIONS UPL LTD (IN) 2023-11-01 EP claimed
CN-116940236-A Composition containing benzylamine acaricide and application thereof 山东康乔生物科技有限公司 2023-10-24 CN claimed
WO-2022219505-A1 NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS AGROVENTURES S.R.L. (IT) 2022-10-20 WO claimed
WO-2022166842-A1 COMPOSITION COMPRISING BENZYLAMINE ACARICIDE AND USE THEREOF 山东康乔生物科技有限公司 2022-08-11 WO claimed
EP-3407717-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-07-28 EP claimed
EP-3407716-B9 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2021-07-14 EP claimed
US-20120195974-A1 CONTROLLING MEALYBUGS DOW AGROSCIENCES LLC (US) 2012-08-02 US claimed
WO-2012103393-A2 CONTROLLING MEALYBUGS DOW AGROSCIENCES LLC (US) 2012-08-02 WO claimed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO claimed
WO-2012061288-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO claimed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 US claimed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US claimed
CN-102143841-A Gelatinous elastomer compositions SILIPOS INC 2011-08-03 CN claimed
EP-2323844-A1 GELATINOUS ELASTOMER COMPOSITIONS Silipos Inc. (US) 2011-05-25 EP claimed
WO-2010030824-A1 GELATINOUS ELASTOMER COMPOSITIONS SILIPOS, INC. (US) 2010-03-18 WO claimed
US-20100063008-A1 GELATINOUS ELASTOMER COMPOSITIONS SILIPOS, INC. (US) 2010-03-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT CYP3A4 91/4885TSHR 1004/4885ALDH1A1 1177/4885
US-20240138408-A1 COMPOSITION COMPRISING BENZYLAMINE ACARICIDE AND USE THEREOF BCHE, AAAS, BROX CYP3A4 1542/4885TSHR 4757/4885ALDH1A1 2824/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS CYP3A4 129/4885TSHR 1156/4885ALDH1A1 1073/4885

“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.