SCHEMBL3745800

SCHEMBL3745800

CN1CC(c2ccccc2)Oc2nc(Oc3ccc(-n4ccnc4)cc3)ncc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.43
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 9/20 0.38
CYP2C9 P11712 8/20 0.38
CYP3A4 P08684 7/20 0.38
CYP1A2 P05177 6/20 0.38
CYP2C19 P33261 5/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PORCN Q9H237 1/20 0.36
OGG1 O15527 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HDAC4 P56524 1/20 0.35

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
SCHEMBL3749574 0.79 HDAC4 (0.38) ALOX15TSHRCYP2D6CYP3A4PORCN
SCHEMBL13044519 0.72 GABRG2 (0.40) KDM4EALOX15CYP2D6CYP2C9CYP3A4
SCHEMBL3745747 0.71 MEN1 (0.36) KDM4EHPGDTSHRCYP2C9CYP1A2
SCHEMBL3745029 0.70 RIPK1 (0.36) KDM4EHPGDTSHRCYP19A1ALDH1A1
SCHEMBL3750045 0.66 MAPT (0.39) ALOX15TSHRCYP3A4CYP1A2CYP19A1
SCHEMBL3746753 0.66 MAOB (0.36) KDM4ECYP19A1
SCHEMBL7005980 0.65 CYP3A4 (0.69) NOS2ALOX15TSHRCYP2D6CYP2C9
SCHEMBL3747326 0.65 CYP3A4 (0.37) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL10512975 0.62 LMNA (0.62) ALOX15TSHRCYP2D6CYP2C9CYP3A4
SCHEMBL8485356 0.62 MAPT (0.60) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19

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 6 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 claimed
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 NOS2 2280/4885KDM4E 4470/4885USP2 2375/4885

“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.