SCHEMBL1648155

SCHEMBL1648155

O=Cc1ccccc1-c1nnnn1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.60
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TRPA1 O75762 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KCNN4 O15554 1/20 0.46
IDO1 P14902 2/20 0.46
TDO2 P48775 1/20 0.46
LMNA P02545 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL4686931 0.82 KCNN4 (0.48) P2RX7ALDH1A1KCNN4
SCHEMBL5815858 0.79 P2RX7 (0.81) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL6357960 0.78 P2RX7 (0.65) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL5813523 0.78 P2RX7 (0.65) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL5815057 0.75 P2RX7 (0.74) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL6360839 0.75 P2RX7 (0.62) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL5816280 0.75 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL22114391 0.75 LMNA (0.53) P2RX7KMT2AALDH1A1IDO1LMNA
SCHEMBL1648295 0.75 BACE1 (0.58) P2RX7HDAC6
SCHEMBL4403732 0.75 P2RX7 (0.81) P2RX7KMT2AALDH1A1LMNAHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US 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 4147/4885KMT2A 1566/4885ALDH1A1 683/4885

“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.