SCHEMBL6443697

SCHEMBL6443697

CC(C)[C@H](NC(=O)CCn1cnnn1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
IL1RN P18510 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6445009 0.80 TP53 (0.52) TP53ALDH1A1GAAMAPTLMNA
SCHEMBL1779398 0.78 ERAP2 (0.56) IL1RNERAP2ERAP1ALDH1A1POLB
SCHEMBL1779393 0.78 ERAP2 (0.56) IL1RNERAP2ERAP1ALDH1A1POLB
SCHEMBL7303007 0.78 TP53 (0.52) TP53ALDH1A1GAAMAPTLMNA
SCHEMBL7276321 0.78 ERAP2 (0.58) IL1RNERAP2ERAP1ALDH1A1RECQL
SCHEMBL7276329 0.78 ERAP2 (0.58) IL1RNERAP2ERAP1ALDH1A1RECQL
SCHEMBL13078443 0.78 IL1RN (0.58) IL1RNERAP2ERAP1ALDH1A1MEN1
SCHEMBL11913993 0.78 IL1RN (0.58) IL1RNERAP2ERAP1ALDH1A1MEN1
SCHEMBL23051996 0.78 ERAP2 (0.60) IL1RNERAP2ERAP1ALDH1A1GAA
SCHEMBL4873339 0.77 ATM (0.49) LMNARAB9AMEN1KMT2AHMOX1

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 8 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-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 TP53 2638/4885IL1RN 518/4885ERAP2 153/4885

“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.