Sugi Predict

Sugi Predict / Compounds / SCHEMBL6445106

SCHEMBL6445106

SCHEMBL6445106

CC(C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CTSD P07339 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ P2RY12 Q9H244 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ MCHR1 Q99705 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.43
▸ ABCC3 O15438 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ CACNA1F O60840 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 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
SCHEMBL5816010 0.87 ALDH1A1 (0.48) ALDH1A1GAAMAPTCTSDHPGD
SCHEMBL6976264 0.83 ALDH1A1 (0.60) ALDH1A1GAAMAPTCTSDHPGD
SCHEMBL9272265 0.83 ALDH1A1 (0.60) ALDH1A1GAAMAPTCTSDHPGD
SCHEMBL30051464 0.83 ALDH1A1 (0.60) ALDH1A1GAAMAPTCTSDHPGD
SCHEMBL7357698 0.83 ALDH1A1 (0.60) ALDH1A1GAAMAPTCTSDHPGD
SCHEMBL6444839 0.82 ALDH1A1 (0.58) ALDH1A1GAAMAPTCTSDHPGD
SCHEMBL561849 0.82 ALDH1A1 (0.58) ALDH1A1GAAMAPTCTSDHPGD
Hydrochloric Acid SCHEMBL4862500 0.81 ALDH1A1 (0.57) ALDH1A1GAAMAPTCTSDHPGD
SCHEMBL8667829 0.80 ALDH1A1 (0.56) ALDH1A1GAAMAPTCTSDHPGD
SCHEMBL14065418 0.80 ALDH1A1 (0.56) ALDH1A1GAAMAPTCTSDHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 — — EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 — — US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 — — EP disclosed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 — — CN disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 — — 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885GAA 27/4885MAPT 56/4885

“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.