SCHEMBL8249365

SCHEMBL8249365

COC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(-c2ccccc2C(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.56
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL8245438 0.90 BACE1 (0.59) BACE1ALDH1A1HPGDKDM4EROCK2
SCHEMBL8249355 0.84 BCAT2 (0.54) ALDH1A1HPGDKDM4EROCK2GAA
SCHEMBL8247171 0.82 BCAT2 (0.53) ALDH1A1HPGDKDM4ENPC1
SCHEMBL7947891 0.81 BACE1 (0.48) BACE1ALDH1A1ROCK2GAAPKM
SCHEMBL13229761 0.81 BACE1 (0.59) BACE1ALDH1A1ROCK2GAAPKM
SCHEMBL13229689 0.81 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EROCK2GAA
SCHEMBL7946598 0.80 ALDH1A1 (0.54) ALDH1A1HPGDROCK2GAAPKM
SCHEMBL3886906 0.80 ALDH1A1 (0.54) BACE1ALDH1A1HPGDROCK2GAA
SCHEMBL3886903 0.80 ALDH1A1 (0.54) BACE1ALDH1A1HPGDROCK2GAA
SCHEMBL13229356 0.78 GPR139 (0.63) ALDH1A1HPGDGAAPKMLMNA

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
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 — — US disclosed
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 — — US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 — — US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 — — US disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — WO disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — 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 (2 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-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 BACE1 5/4885ALDH1A1 206/4885HPGD 1079/4885
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 BACE1 5/4885ALDH1A1 232/4885HPGD 1029/4885

“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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