SCHEMBL5943486

SCHEMBL5943486

c1ccc2nc(NCCCNc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.59
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 3/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HTR1A P08908 4/20 0.50
DRD2 P14416 3/20 0.49
ADRA1A P35348 3/20 0.49
DRD3 P35462 3/20 0.49
KCNH2 Q12809 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
PDE10A Q9Y233 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KMT2A Q03164 1/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44

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
SCHEMBL5943479 0.91 NCF1 (0.59) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5943488 0.89 NCF1 (0.52) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4848300 0.89 POLB (0.54) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3956730 0.89 TLR8 (0.56) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4848123 0.88 NCF1 (0.50) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8354796 0.88 NCF1 (0.50) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1234357 0.88 NCF1 (0.55) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9850350 0.86 NCF1 (0.57) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6619950 0.86 RAD52 (0.59) NCF1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11762958 0.86 PDE5A (0.49) NCF1NPC1RAB9ASMN1; SMN2KDM4E

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-20060247439-A1 Mchir antagonists ASTRAZENECA AB (SE) 2006-11-02 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-20060247439-A1 Mchir antagonists MCHR1, HCRTR1, MC3R NCF1 4070/4885NPC1 193/4885RAB9A 925/4885

“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.