SCHEMBL3131670

SCHEMBL3131670

O=[N+]([O-])c1ccccc1C=CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 5/20 0.52
SOS1 Q07889 1/20 0.51
MAOB P27338 1/20 0.50
RAB9A P51151 4/20 0.49
MAPK1 P28482 3/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL3131663 1.00 MAPT (0.54) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL30810472 1.00 MAPT (0.54) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL14536880 0.89 MAPT (0.48) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL11049170 0.81 MAPT (0.69) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL14935499 0.81 MAPT (0.69) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL9978289 0.81 MAPT (0.69) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL11299049 0.79 MAPT (0.67) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL11296000 0.79 MAPT (0.67) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL5440780 0.77 SOS1 (0.71) MAPTALDH1A1SOS1MAOBRAB9A
SCHEMBL5440784 0.77 SOS1 (0.71) MAPTALDH1A1SOS1MAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015022282-A1 NITROGEN-DOPED CARBON NANOTUBES AS HIGH SELECTIVE NOBLE METAL-FREE CATALYSTS FOR HYDROGENATION OF FUNCTIONALIZED NITROAROMATICS BAYER CROPSCIENCE AG (DE) 2015-02-19 WO claimed
EP-2837612-A1 Nitrogen-doped carbon nanotubes as high selective noble metal-free catalysts for hydrogenation of functionalized nitroaromatics Bayer Technology Services GmbH (DE) 2015-02-18 EP claimed
CN-113194721-B Pesticidal compositions and methods 科迪华农业科技有限责任公司 2024-03-01 CN disclosed
US-11297838-B2 Pesticidal compositions and methods CORTEVA AGRISCIENCE LLC (US) 2022-04-12 US disclosed
US-20210282402-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2021-09-16 US disclosed
CN-113194721-A Pesticidal compositions and methods 科迪华农业科技有限责任公司 2021-07-30 CN disclosed
WO-2015022282-A1 NITROGEN-DOPED CARBON NANOTUBES AS HIGH SELECTIVE NOBLE METAL-FREE CATALYSTS FOR HYDROGENATION OF FUNCTIONALIZED NITROAROMATICS BAYER CROPSCIENCE AG (DE) 2015-02-19 WO disclosed
EP-2837612-A1 Nitrogen-doped carbon nanotubes as high selective noble metal-free catalysts for hydrogenation of functionalized nitroaromatics Bayer Technology Services GmbH (DE) 2015-02-18 EP disclosed
EP-2043995-B1 A METHOD FOR PRODUCING ALKENYL NITROBENZOL DERIVATIVES UNBRANCHED IN THE 1-POSITION BAYER CROPSCIENCE AG (DE) 2013-01-02 EP disclosed
US-8071824-B2 Method for producing alkenylnitrobenzene derivatives unbranched in the 1′-position BAYER CROPSCIENCE AG (DE) 2011-12-06 US disclosed
US-20100076229-A1 Method for Producing Alkenylnitrobenzene Derivatives Unbranched in the 1'-Position BAYER CROPSCIENCE AG (DE) 2010-03-25 US disclosed
EP-2043995-A1 A METHOD FOR PRODUCING ALKENYL NITROBENZOL DERIVATIVES UNBRANCHED IN THE 1-POSITION Bayer CropScience AG (DE) 2009-04-08 EP disclosed
WO-2008006576-A1 A METHOD FOR PRODUCING ALKENYL NITROBENZOL DERIVATIVES UNBRANCHED IN THE 1-POSITION BAYER CROPSCIENCE AG (DE) 2008-01-17 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 (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-11297838-B2 Pesticidal compositions and methods ACHE, DDT, PLA2G2D MAPT 3752/4885ALDH1A1 762/4885SOS1 4325/4885
US-20100076229-A1 Method for Producing Alkenylnitrobenzene Derivatives Unbranched in the 1'-Position CYP1B1, AKR7A2, CYP1A1 MAPT 4014/4885ALDH1A1 329/4885SOS1 4004/4885
US-20210282402-A1 PESTICIDAL COMPOSITIONS AND METHODS ACHE, DDT, PLA2G2D MAPT 3752/4885ALDH1A1 762/4885SOS1 4325/4885

“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.