SCHEMBL13312274

SCHEMBL13312274

COc1ccc(-c2c(NCCNc3n[nH]c(C)c3-c3ccc(OC)cc3)n[nH]c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.48
▸ CNR1 P21554 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ GPR55 Q9Y2T6 2/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALOX12 P18054 3/20 0.43

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
SCHEMBL13312189 0.81 CHEK1 (0.58) CNR1CNR2GPR55MEN1KMT2A
SCHEMBL13312276 0.76 IKBKB (0.67) HSP90AA1CNR1CNR2GPR55GPR35
SCHEMBL13312272 0.74 CHUK (0.45) HSP90AA1CNR1CNR2GPR55GPR35
SCHEMBL13312234 0.72 IKBKB (0.47) CNR1CNR2GPR55MEN1KMT2A
SCHEMBL3261336 0.70 HSP90AA1 (0.48) HSP90AA1CNR1CNR2GPR55GPR35
SCHEMBL13312218 0.68 APP (0.65) MAPTRAB9AMAPK1
SCHEMBL2045714 0.67 HSP90AA1 (0.54) HSP90AA1CNR1CNR2GPR55GPR35
SCHEMBL20323072 0.65 CA1 (0.69) GAAALDH1A1MAPTCYP3A4NPSR1
SCHEMBL1528328 0.65 HSP90AA1 (1.00) HSP90AA1CNR1CNR2GPR55GPR35
SCHEMBL13516427 0.65 MAPT (0.50) HSP90AA1MEN1KMT2AGAAALDH1A1

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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 — — US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 — — US disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 — — WO 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 HSP90AA1 1460/4885CNR1 397/4885CNR2 493/4885

“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.

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