SCHEMBL4148683

SCHEMBL4148683

N#Cc1cc2c(ccc3sc(NCCc4ccccn4)nc32)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
IDH1 O75874 4/20 0.38
PIM1 P11309 1/20 0.37
CYP1A2 P05177 1/20 0.36
IGF1R P08069 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4156006 0.82 CCNA2 (0.35) LMNAIDH1PIM1KDM4EHPGD
SCHEMBL4163224 0.81 NPC1 (0.41) ALDH1A1IDH1KDM4EHSD17B10NPC1
SCHEMBL4154216 0.80 SHMT2 (0.38) MAPTIDH1PIM1KDM4EHSD17B10
SCHEMBL10967371 0.78 PIM1 (0.38) IDH1PIM1KDM4E
SCHEMBL4164023 0.78 ALDH1A1 (0.39) ALDH1A1PKMIDH1PIM1KDM4E
SCHEMBL4157701 0.77 PARP1 (0.42) ALDH1A1LMNAMAPTIDH1KDM4E
SCHEMBL4159917 0.73 DYRK1A (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4166582 0.73 NPC1 (0.48) ALDH1A1MAPTIDH1KDM4EHSD17B10
SCHEMBL13851488 0.73 ALDH1A1 (0.37) ALDH1A1LMNAMAPTPKMIDH1
SCHEMBL4153030 0.71 CSNK2A1 (0.40) ALDH1A1LMNAKDM4EHSD17B10HPGD

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-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 ALDH1A1 3112/4885NOS3 3271/4885NOS1 3698/4885

“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.