SCHEMBL3745029

SCHEMBL3745029

CN1CC(c2ccccc2)Oc2nc(S(C)(=O)=O)ncc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
ALOX5 P09917 1/20 0.34
ALPL P05186 2/20 0.33
GRM5 P41594 3/20 0.32
BRD4 O60885 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NUAK1 O60285 1/20 0.32
SIK1 P57059 1/20 0.32
NUAK2 Q9H093 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
SIK3 Q9Y2K2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOB P27338 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL3745747 0.81 MEN1 (0.36) ALOX5BRD4ALDH1A1HPGDTSHR
SCHEMBL3746753 0.75 MAOB (0.36) ALOX5GRM5BRD4KDM4EADORA3
SCHEMBL3745800 0.70 NOS2 (0.43) ALDH1A1HPGDTSHRKDM4ECYP19A1
SCHEMBL7364886 0.67 FADS1 (0.50) ALOX5BRD4TSHRKDM4EADORA3
SCHEMBL5835616 0.67 FADS1 (0.50) ALOX5BRD4TSHRKDM4EADORA3
SCHEMBL7364885 0.67 FADS1 (0.50) ALOX5BRD4TSHRKDM4EADORA3
SCHEMBL3741085 0.65 IMPDH2 (0.41) BRD4ALDH1A1KDM4E
SCHEMBL15928323 0.60 KDM4E (0.48) ALOX5ALDH1A1TSHRNPSR1KDM4E
SCHEMBL9674222 0.60 PTGS2 (0.40)
SCHEMBL12370985 0.60 PTGS2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 RIPK1 1888/4885ALOX5 2274/4885ALPL 2472/4885

“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.