SCHEMBL5419103

SCHEMBL5419103

[CH2]C(CCCN1CCCC1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 9/20 0.39
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.35
DUSP3 P51452 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNH2 Q12809 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL4526655 0.93 KEAP1 (0.48) KEAP1SMN1; SMN2HRH3HPGDDUSP3
SCHEMBL5238996 0.89 SLC6A2 (0.39) KEAP1SMN1; SMN2HRH3SLC6A2SLC6A4
SCHEMBL9085403 0.87 SLC6A2 (0.38) KEAP1SMN1; SMN2HRH3SLC6A2SLC6A4
SCHEMBL643894 0.85 HRH3 (0.44) SMN1; SMN2HRH3MAPTSIGMAR1
SCHEMBL15515230 0.81 KEAP1 (0.42) KEAP1SMN1; SMN2HPGDDUSP3SLC6A2
SCHEMBL5460755 0.79 KEAP1 (0.40) KEAP1SMN1; SMN2HRH3HPGDDUSP3
SCHEMBL10713621 0.76 KCNH2 (0.39) SMN1; SMN2HRH3MAPTHPGDPOLB
SCHEMBL5622310 0.74 KEAP1 (0.39) KEAP1SMN1; SMN2HPGDDUSP3POLB
SCHEMBL17377315 0.74 KEAP1 (0.62) KEAP1SMN1; SMN2HRH3MAPTHPGD
SCHEMBL4042395 0.74 KEAP1 (0.62) KEAP1SMN1; SMN2HRH3HPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 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-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG KEAP1 804/4885SMN1; SMN2 3335/4885HRH3 47/4885

“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.