SCHEMBL23322893

SCHEMBL23322893

N#Cc1ccc(NC(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
MAPT P10636 7/20 0.54
THRB P10828 1/20 0.54
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL9018657 0.87 MEN1 (0.71) MEN1KMT2AMAPTLMNAHTT
SCHEMBL20941638 0.85 SAE1 (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL20379476 0.84 KMT2A (0.66) MEN1KMT2AMAPTTHRBLMNA
SCHEMBL6162468 0.83 ALDH1A1 (0.62) MEN1KMT2AMAPTTHRBLMNA
SCHEMBL1552887 0.81 MAPT (0.52) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2336524 0.81 CA12 (0.60) MEN1KMT2AMAPTLMNAHTT
SCHEMBL57257 0.80 VCAM1 (0.61) MEN1KMT2AMAPTTHRBLMNA
SCHEMBL16089350 0.80 VCAM1 (0.61) MEN1KMT2AMAPTTHRBLMNA
SCHEMBL3677488 0.79 MEN1 (0.65) MEN1KMT2AMAPTLMNAHTT
Selenium SCHEMBL9497333 0.78 VCAM1 (0.59) MEN1KMT2AMAPTTHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731946-B2 Broad spectrum antivirulence, anti-persistence compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-08-22 US disclosed
US-11731946-B2 Broad spectrum antivirulence, anti-persistence compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-08-22 US disclosed
US-20210130306-A1 BROAD SPECTRUM ANTIVIRULENCE, ANTI-PERSISTENCE COMPOUNDS THE GENERAL HOSPITAL CORPORATION 2021-05-06 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 (2 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-11731946-B2 Broad spectrum antivirulence, anti-persistence compounds ME2, ME1, ME3 MEN1 3416/4885KMT2A 1458/4885MAPT 2412/4885
US-20210130306-A1 BROAD SPECTRUM ANTIVIRULENCE, ANTI-PERSISTENCE COMPOUNDS ME2, ME1, ME3 MEN1 3416/4885KMT2A 1458/4885MAPT 2412/4885

“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.