SCHEMBL30317060

SCHEMBL30317060

NC(=O)OCCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.63
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 4/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PRSS1 P07477 4/20 0.47
▸ PKM P14618 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
SCHEMBL28538491 0.92 NPC1 (0.62) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29154843 0.87 RAB9A (0.56) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9446510 0.82 KAT2B (0.54) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28721561 0.82 PKM (0.62) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7170020 0.81 KAT2B (0.81) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6200169 0.81 KAT2B (0.81) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7745470 0.80 ALDH1A1 (0.66) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6198359 0.79 KAT2B (0.78) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8720672 0.79 KAT2B (0.78) KAT2BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29155075 0.79 RAB9A (0.47) KAT2BNPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 KAT2B 878/4885NPC1 3492/4885RAB9A 1071/4885

“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.

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