SCHEMBL3741386

SCHEMBL3741386

Clc1cnc2c(n1)OC(c1ccccc1)CNC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
AR P10275 1/20 0.30
CYP19A1 P11511 1/20 0.30
MAOB P27338 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3741380 1.00 ATM (0.32) ATMSMN1; SMN2TSHRMEN1CYP3A4
SCHEMBL3706863 0.78 MEN1 (0.38) ATMSMN1; SMN2TSHRMEN1CYP3A4
SCHEMBL3706859 0.78 MEN1 (0.38) ATMSMN1; SMN2TSHRMEN1CYP3A4
SCHEMBL3750295 0.76 MEN1 (0.36) ATMSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL3750291 0.76 MEN1 (0.36) ATMSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL3753956 0.74 SLC6A2 (0.33) ATMSMN1; SMN2CYP3A4CYP2D6DRD2
SCHEMBL3753949 0.74 SLC6A2 (0.33) ATMSMN1; SMN2CYP3A4CYP2D6DRD2
SCHEMBL1950686 0.70 MEN1 (0.43) TSHRMEN1CYP3A4CYP2D6KMT2A
SCHEMBL3746339 0.69 LTA4H (0.38)
SCHEMBL3746341 0.69 LTA4H (0.38)

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
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

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 ATM 3005/4885SMN1; SMN2 443/4885TSHR 4706/4885

“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.