SCHEMBL5943479

SCHEMBL5943479

CNCCCNc1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.59
HRH3 Q9Y5N1 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR1A P08908 4/20 0.48
DRD2 P14416 3/20 0.47
ADRA1A P35348 3/20 0.47
DRD3 P35462 3/20 0.47
PDE10A Q9Y233 1/20 0.46
KCNH2 Q12809 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
TLR8 Q9NR97 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL5943486 0.91 NCF1 (0.59) NCF1NPC1RAB9AKDM4ETP53
SCHEMBL3956730 0.85 TLR8 (0.56) NCF1NPC1RAB9AKDM4ETP53
SCHEMBL1234357 0.83 NCF1 (0.55) NCF1NPC1RAB9AKDM4ETP53
SCHEMBL6619950 0.82 RAD52 (0.59) NCF1HRH3NPC1RAB9AKDM4E
SCHEMBL4848300 0.81 POLB (0.54) NCF1NPC1RAB9AKDM4ETP53
SCHEMBL5943488 0.81 NCF1 (0.52) NCF1HRH3NPC1RAB9AKDM4E
SCHEMBL7511217 0.81 NCF1 (0.60) NCF1NPC1RAB9AKDM4ETP53
SCHEMBL4848123 0.80 NCF1 (0.50) NCF1NPC1RAB9AKDM4ETP53
SCHEMBL8354796 0.80 NCF1 (0.50) NCF1HRH3NPC1RAB9AKDM4E
SCHEMBL9850350 0.79 NCF1 (0.57) NCF1NPC1RAB9AKDM4ETP53

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 4070/4885HRH3 49/4885NPC1 193/4885

“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.