SCHEMBL23327052

SCHEMBL23327052

Cc1cc(-c2nnn[nH]2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 3/20 0.42
ALPL P05186 1/20 0.39
GRK6 P43250 1/20 0.39
NPBWR1 P48145 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
GUSB P08236 1/20 0.35

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
SCHEMBL27176841 0.82 TDP1 (0.47) MEN1KMT2AMAPTTSHRGRK6
SCHEMBL30750463 0.82 TDP1 (0.47) MEN1KMT2AMAPTTSHRGRK6
SCHEMBL1068602 0.82 TDP1 (0.47) MEN1KMT2AMAPTTSHRCYP3A4
SCHEMBL4100802 0.79 MAPT (0.50) MEN1KMT2AMAPTALPLALDH1A1
SCHEMBL31587453 0.79 ALDH1A1 (0.46) MEN1KMT2AMAPTGRK6ALDH1A1
SCHEMBL23850830 0.79 ALDH1A1 (0.46) MEN1KMT2AMAPTGRK6ALDH1A1
SCHEMBL5311953 0.79 MAPT (0.60) MEN1KMT2AMAPTTSHRGRK6
SCHEMBL13108583 0.79 MAPT (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5822962 0.77 NOTUM (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11293963 0.77 MAPT (0.60) MEN1KMT2ANPC1RAB9AMAPT

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-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 US disclosed
US-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2021-05-13 US disclosed
CN-111936466-A Compounds for the treatment of cardiac arrhythmias and heart failure 埃利克斯生物技术公司 2020-11-13 CN 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-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE RYR2, RYR1, CACNA1F MEN1 4315/4885KMT2A 4521/4885NPC1 1393/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F MEN1 4315/4885KMT2A 4521/4885NPC1 1393/4885

“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.