SCHEMBL5003003

SCHEMBL5003003

Fc1ccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
AOC3 Q16853 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
SCHEMBL4997457 0.88 KDM4E (0.46) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL4996840 0.87 ALDH1A1 (0.46) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL4996191 0.87 PIM1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP1A2ALOX15
SCHEMBL4997065 0.85 MEN1 (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5000833 0.83 CYP11B1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL4991986 0.82 CHEK1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4995451 0.81 SMN1; SMN2 (0.50) NPC1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5003465 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4995137 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5000692 0.79 NPC1 (0.53) MEN1KMT2ANPC1RAB9AALDH1A1

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C MEN1 1557/4885KMT2A 4601/4885NPC1 2008/4885

“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.