SCHEMBL30237404

SCHEMBL30237404

CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1c(Sc2ccc([N+](=O)[O-])cc2)nc2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAPGEF3 O95398 1/20 0.50
HSPA5 P11021 2/20 0.48
HSPA8 P11142 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL30237383 0.88 SLC28A2 (0.56) MEN1KMT2ARAPGEF3HSPA5HSPA8
SCHEMBL30237821 0.88 HSPA8 (0.52) MEN1KMT2ARAPGEF3HSPA5HSPA8
SCHEMBL30237705 0.88 SLC28A2 (0.58) MEN1KMT2ARAPGEF3HSPA5HSPA8
SCHEMBL5328057 0.88 RAPGEF3 (0.61) MEN1KMT2ARAPGEF3HSPA5HSPA8
SCHEMBL30237368 0.88 RAPGEF3 (0.61) MEN1KMT2ARAPGEF3HSPA5HSPA8
SCHEMBL5328067 0.88 RAPGEF3 (0.61) MEN1KMT2ARAPGEF3HSPA5HSPA8
SCHEMBL30237176 0.88 HSPA8 (0.56) MEN1KMT2ARAPGEF3HSPA5HSPA8
SCHEMBL30237448 0.88 HSD17B10 (0.56) RAPGEF3HSPA5HSPA8RXFP1PDE4A
SCHEMBL30237396 0.86 RAPGEF3 (0.52) MEN1KMT2ARAPGEF3HSPA5HSPA8
SCHEMBL30237992 0.82 HSPA8 (0.58) HSPA5HSPA8RXFP1

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-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US disclosed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 WO 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-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, CD4, MCL1 MEN1 2953/4885KMT2A 1729/4885RAPGEF3 2142/4885

“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.