SCHEMBL4158876

SCHEMBL4158876

Cc1csc(N2CCN(c3ccnc(N4CCN(c5nc(C)cs5)CC4)n3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SORD Q00796 8/20 0.50
GBA1 P04062 1/20 0.44
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
OGA O60502 2/20 0.41
POLB P06746 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL6929063 0.73 ALDH1A1 (0.54) NPC1LMNARAB9AOGAPOLB
SCHEMBL8549105 0.72 GBA1 (0.56) SORDGBA1NPC1RAB9AHRH4
SCHEMBL4472290 0.72 L3MBTL1 (0.54) LMNATP53RAB9AOGAPOLB
SCHEMBL3511935 0.72 L3MBTL1 (0.54) NPC1LMNATP53RAB9AOGA
SCHEMBL30635502 0.71 GBA1 (0.55) SORDGBA1NPC1RAB9AHRH4
SCHEMBL27941842 0.71 GBA1 (0.55) SORDGBA1NPC1RAB9AHRH4
SCHEMBL4469579 0.71 SMN1; SMN2 (0.53) NPC1LMNATP53RAB9AOGA
SCHEMBL1088608 0.70 HRH4 (0.59) SORDGBA1HRH4HRH3
SCHEMBL9794819 0.70 L3MBTL1 (0.47) LMNATP53MAPTMAPK1HTT
SCHEMBL1713003 0.70 L3MBTL1 (0.47) LMNATP53MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 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-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases APP, PSEN2, PSEN1 SORD 346/4885GBA1 21/4885NPC1 200/4885

“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.