SCHEMBL24266012

SCHEMBL24266012

O=NCCCc1cc(O)c(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IGF1R P08069 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ SERPINE1 P05121 2/20 0.35
▸ SELL P14151 2/20 0.34
▸ SELP P16109 2/20 0.34
▸ SELE P16581 2/20 0.34

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
SCHEMBL24265817 0.87 SERPINE1 (0.38) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL19477894 0.84 RAB9A (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL7497047 0.76 NPC1 (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL24265373 0.73 SELL (0.37) HPGDMAPK1HTTALOX15SERPINE1
SCHEMBL20849682 0.73 MAPK1 (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL2986688 0.73 TNKS2 (0.52) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6351058 0.71 NPC1 (0.72) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL19857034 0.71 HDAC3 (0.55) MAPK1SELLSELPSELE
SCHEMBL6356508 0.70 PTGS2 (0.65) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL31672996 0.69 MAPT (0.55) MAPK1SELLSELPSELE

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-20220054516-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF SYNEURX INTERNATIONAL (TAIWAN) CORP. (TW) 2022-02-24 — — 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-20220054516-A1 COMPOUNDS AND PHARMACEUTICAL USES THEREOF ACE, ACE2, FURIN NPC1 39/4885HPGD 1625/4885MAPK1 3172/4885

“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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