SCHEMBL31103641

SCHEMBL31103641

COC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
ALDH1A1 P00352 4/20 0.67
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
TP53 P04637 1/20 0.64
TSHR P16473 2/20 0.62
MAPT P10636 5/20 0.61
POLB P06746 2/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
RAB9A P51151 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPC1 O15118 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ALOX5 P09917 1/20 0.57
SETD7 Q8WTS6 1/20 0.57

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
SCHEMBL1572442 1.00 MEN1 (0.76) MEN1KMT2AALDH1A1CES2CES1
Fluoride SCHEMBL28307367 0.98 MEN1 (0.74) MEN1KMT2AALDH1A1CES2CES1
Methane SCHEMBL28043489 0.98 MEN1 (0.74) MEN1KMT2AALDH1A1CES2CES1
Ammonia Solution, Strong SCHEMBL27704150 0.98 MEN1 (0.74) MEN1KMT2AALDH1A1CES2CES1
SCHEMBL27858189 0.98 MEN1 (0.74) MEN1KMT2AALDH1A1CES2CES1
Methyl Benzoate SCHEMBL29102092 0.95 MEN1 (0.71) MEN1KMT2AALDH1A1CES2CES1
SCHEMBL4962964 0.94 TP53 (0.76) MEN1KMT2AALDH1A1CES2CES1
SCHEMBL27918616 0.92 MEN1 (0.67) MEN1KMT2AALDH1A1CES2CES1
Acetonitrile SCHEMBL28101350 0.91 MEN1 (0.66) MEN1KMT2AALDH1A1CES2CES1
SCHEMBL29441715 0.91 MEN1 (0.65) MEN1KMT2AALDH1A1CES2CES1

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
WO-2024182515-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2024-09-06 WO claimed
US-20240292836-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2024-09-05 US claimed
WO-2024182515-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2024-09-06 WO disclosed
WO-2024182515-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2024-09-06 WO disclosed
US-20240292836-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2024-09-05 US disclosed
US-20240292836-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2024-09-05 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-20240292836-A1 AGENTS FOR REPELLING, KNOCKING DOWN, AND/OR KILLING BLOOD-SUCKING ARTHROPODS AND USES THEREOF L3MBTL4, L3MBTL3, L3MBTL1 MEN1 2047/4885KMT2A 404/4885ALDH1A1 3333/4885

“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.