SCHEMBL22630196

SCHEMBL22630196

Cc1noc(-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.64
▸ RAB9A P51151 8/20 0.64
▸ NPC1 O15118 7/20 0.64
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ PKM P14618 2/20 0.64
▸ MAPT P10636 8/20 0.62
▸ KDM4E B2RXH2 6/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ HPGD P15428 2/20 0.62
▸ POLB P06746 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ ESR2 Q92731 1/20 0.57
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ ACHE P22303 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL15436312 0.83 NPC1 (0.82) GAARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL22890910 0.78 NPC1 (1.00) GAARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13417238 0.77 NPC1 (0.76) GAARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13415305 0.76 ACHE (0.80) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL16373701 0.75 NPC1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22628907 0.75 NOTUM (0.49) GAARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL15425102 0.75 NPC1 (0.89) GAARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL12864670 0.75 ALDH1A1 (0.58) GAARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2092192 0.74 NPC1 (0.63) RAB9ANPC1MEN1KMT2APKM
SCHEMBL21980354 0.74 NPC1 (0.75) GAARAB9ANPC1SMN1; SMN2MEN1

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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 — — 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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A GAA 503/4885RAB9A 2995/4885NPC1 597/4885

“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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