SCHEMBL1646429

SCHEMBL1646429

O=Cc1ccccc1-c1cnnn1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.60
CDC7 O00311 1/20 0.45
IDO1 P14902 2/20 0.43
TDO2 P48775 1/20 0.43
HSD11B1 P28845 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SLC9A1 P19634 1/20 0.39
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL27953930 0.79 P2RX7 (0.81) P2RX7CDC7IDO1TDO2HSD11B1
SCHEMBL2895624 0.77 CDC7 (0.54) P2RX7CDC7IDO1HSD11B1HDAC3
SCHEMBL3595458 0.75 P2RX7 (1.00) P2RX7CDC7HSD11B1HDAC3HDAC1
SCHEMBL4200799 0.75 HSD11B1 (0.48) P2RX7CDC7IDO1TDO2HSD11B1
SCHEMBL27953888 0.75 P2RX7 (0.58) P2RX7CDC7IDO1TDO2HSD11B1
SCHEMBL1648694 0.75 BACE1 (0.58) P2RX7
SCHEMBL1648691 0.75 BACE1 (0.58) P2RX7
SCHEMBL2895467 0.75 CDC7 (0.61) P2RX7CDC7IDO1HSD11B1HDAC3
SCHEMBL1648155 0.74 P2RX7 (0.60) P2RX7IDO1TDO2HDAC6ALDH1A1
SCHEMBL27943828 0.71 ALDH1A1 (0.57) P2RX7CDC7HSD11B1ALDH1A1HPGD

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
CN-102046575-B Therapeutic agent for alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-10-29 CN disclosed
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
CN-102046575-A Therapeutic agent for alzheimer's disease TOKYO INST TECH 2011-05-04 CN disclosed
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP 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-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 P2RX7 4147/4885CDC7 3559/4885IDO1 3498/4885

“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.