SCHEMBL31096313

SCHEMBL31096313

O=[N+]([O-])c1ccc(N2CCNCC2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
ALDH1A1 P00352 5/20 0.52
HTR7 P34969 2/20 0.51
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
SLC6A4 P31645 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SLC6A9 P48067 1/20 0.47
LMNA P02545 1/20 0.47
HTR1A P08908 1/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5464512 1.00 ADRB1 (0.54) ADRB1SIRT6ALDH1A1HTR7HTR3E
Alcohol SCHEMBL28776571 0.93 ALDH1A1 (0.49) ADRB1SIRT6ALDH1A1HTR7HTR3E
Tert-Butyl Formate SCHEMBL27769726 0.89 ALDH1A1 (0.45) ADRB1SIRT6ALDH1A1HTR7HTR3E
SCHEMBL22465912 0.87 GAA (0.61) ALDH1A1HTR7CYP1A2CYP3A4CYP2C19
SCHEMBL29378218 0.87 GAA (0.61) ALDH1A1HTR7CYP1A2CYP3A4CYP2C19
SCHEMBL28901655 0.84 SLC6A9 (0.48) ALDH1A1HTR7CYP1A2CYP3A4CYP2C19
SCHEMBL28258184 0.84 SLC6A9 (0.44) ADRB1SIRT6ALDH1A1HTR7SLC6A4
SCHEMBL23538890 0.83 ALDH1A1 (0.68) ALDH1A1HTR7CYP1A2CYP3A4CYP2C19
SCHEMBL4150695 0.83 SLC6A9 (0.47) ALDH1A1HTR7CYP1A2CYP3A4CYP2C19
SCHEMBL3212217 0.83 SLC6A9 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C19SLC6A9

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
CN-118894677-B Nanometer microporous heat-insulating plate and preparation method thereof 南通福美新材料有限公司 2024-12-20 CN claimed
CN-118894677-A Nanometer microporous heat-insulating plate and preparation method thereof 南通福美新材料有限公司 2024-11-05 CN claimed
CN-118894677-B Nanometer microporous heat-insulating plate and preparation method thereof 南通福美新材料有限公司 2024-12-20 CN disclosed
CN-118894677-A Nanometer microporous heat-insulating plate and preparation method thereof 南通福美新材料有限公司 2024-11-05 CN disclosed
US-20240308996-A1 PYRIDOPYRIDINES AND DERIVATIVES THEREOF AS SELECTIVE KINASE INHIBITORS UNIVERSITY OF SHARJAH (AE) 2024-09-19 US 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-20240308996-A1 PYRIDOPYRIDINES AND DERIVATIVES THEREOF AS SELECTIVE KINASE INHIBITORS MAP4K2, MAP4K1, MAP3K1 ADRB1 1100/4885SIRT6 1619/4885ALDH1A1 4055/4885

“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.