SCHEMBL5534388

SCHEMBL5534388

COC(=O)c1ccc(N)c(C(=O)Nc2ncc(C)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.54
▸ RAB9A P51151 12/20 0.52
▸ NPC1 O15118 11/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ POLB P06746 1/20 0.51
▸ PAX8 Q06710 1/20 0.49
▸ PKM P14618 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 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
SCHEMBL31665327 0.86 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2949867 0.80 SMN1; SMN2 (0.62) GCKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30339219 0.78 NPC1 (0.62) GCKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24073804 0.78 NPC1 (0.62) GCKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23287061 0.77 MAPK14 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL31665552 0.76 RAB9A (0.55) GCKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4290502 0.75 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL31110024 0.75 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL25142712 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4860081 0.74 KMT2A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 — — US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 — — US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 — — 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 GCK 3820/4885RAB9A 2408/4885NPC1 1666/4885

“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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