SCHEMBL5622307

SCHEMBL5622307

O=S1(=O)CCN(C[CH]CCCCN2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
HPGD P15428 1/20 0.34
DUSP3 P51452 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PAOX Q6QHF9 1/20 0.32
KDM1A O60341 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
SCHEMBL5499433 0.85 HPGD (0.35) HPGDALDH1A1
SCHEMBL4526651 0.82 KEAP1 (0.52) KEAP1SMN1; SMN2MAPK1HIF1AHPGD
SCHEMBL5419101 0.77 KEAP1 (0.47) KEAP1SMN1; SMN2MAPK1HIF1AHPGD
SCHEMBL6161463 0.77 CXCR4 (0.39) SMN1; SMN2HPGDPOLBSIGMAR1KDM1A
SCHEMBL15515228 0.74 KDM4E (0.45) KEAP1SMN1; SMN2MAPK1HIF1AHPGD
SCHEMBL6408637 0.72 KEAP1 (0.58) KEAP1SMN1; SMN2MAPK1HIF1AHPGD
SCHEMBL27866521 0.72 KEAP1 (0.48) KEAP1SMN1; SMN2MAPK1HPGDDUSP3
SCHEMBL7291045 0.71 KEAP1 (0.52) KEAP1SMN1; SMN2MAPK1HIF1AHPGD
SCHEMBL6764986 0.70 KEAP1 (0.50) KEAP1SMN1; SMN2MAPK1HIF1AHPGD
SCHEMBL7294030 0.70 KEAP1 (0.50) KEAP1SMN1; SMN2MAPK1HIF1AHPGD

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-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 KEAP1 3355/4885SMN1; SMN2 2546/4885MAPK1 2233/4885

“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.