SCHEMBL25846405

SCHEMBL25846405

C=C(N)c1ccc[n+]([O-])c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GPR84 Q9NQS5 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
NNMT P40261 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.34
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5699279 0.79 KMT2A (0.57) MEN1KMT2AGPR84L3MBTL1ABL1
SCHEMBL128526 0.79 MEN1 (0.68) MEN1KMT2AGPR84L3MBTL1ABL1
SCHEMBL29618255 0.79 MEN1 (0.68) MEN1KMT2AGPR84L3MBTL1ABL1
SCHEMBL14198090 0.78 MEN1 (0.55) MEN1KMT2AGPR84L3MBTL1ABL1
SCHEMBL1447053 0.76 MEN1 (0.53) MEN1KMT2AGPR84L3MBTL1ABL1
SCHEMBL1447051 0.76 MEN1 (0.53) MEN1KMT2AGPR84L3MBTL1ABL1
SCHEMBL29618133 0.72 MEN1 (0.64) MEN1KMT2AGPR84L3MBTL1ABL1
Oxiniacic Acid SCHEMBL129209 0.72 MEN1 (1.00) MEN1KMT2AGPR84L3MBTL1ABL1
Oxiniacic Acid SCHEMBL29766756 0.72 MEN1 (1.00) MEN1KMT2AGPR84L3MBTL1ABL1
SCHEMBL4120256 0.72 MEN1 (0.58) MEN1KMT2AGPR84L3MBTL1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024306-A1 PROCESSES FOR PREPARING ARIMOCLOMOL CITRATE AND INTERMEDIATES THEREOF ZEVRA DENMARK AS (DK) 2024-01-25 US disclosed
US-11707456-B2 Processes for preparing arimoclomol citrate and intermediates thereof KEMPHARM DENMARK A/S 2023-07-25 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-11707456-B2 Processes for preparing arimoclomol citrate and intermediates thereof ACLY, AURKC, AURKA MEN1 4132/4885KMT2A 1948/4885GPR84 1944/4885
US-20240024306-A1 PROCESSES FOR PREPARING ARIMOCLOMOL CITRATE AND INTERMEDIATES THEREOF ACLY, AURKC, AURKA MEN1 4132/4885KMT2A 1948/4885GPR84 1944/4885

“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.