SCHEMBL13312272

SCHEMBL13312272

COc1ccc(-c2c(NC(=O)OC(C)(C)C)n[nH]c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 1/20 0.45
▸ HSP90AA1 P07900 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ GPR55 Q9Y2T6 2/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40

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
Hydrochloric Acid SCHEMBL29096629 0.76 CYP17A1 (0.49) AURKAHDAC1HDAC2HDAC8HDAC6
SCHEMBL13312274 0.74 HSP90AA1 (0.48) HSP90AA1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3978246 0.74 CYP17A1 (0.58) ALDH1A1KDM4EKMT2AGAARAB9A
SCHEMBL1342005 0.72 SMN1; SMN2 (0.61) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL16797332 0.71 LMNA (0.44) ALDH1A1KDM4ELMNAGSK3B
SCHEMBL24872968 0.70 CHUK (0.32) CHUKAURKA
SCHEMBL13312275 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL29704368 0.69 L3MBTL1 (0.49) KDM4EGAAMAPTLMNACYP1A2
SCHEMBL13312276 0.69 IKBKB (0.67) CHUKHSP90AA1ALDH1A1KDM4EMEN1
SCHEMBL12127932 0.68 FDPS (0.54) ALDH1A1SMN1; SMN2L3MBTL1GSK3B

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 2 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
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 CHUK 535/4885HSP90AA1 1460/4885ALDH1A1 1974/4885

“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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