SCHEMBL6443067

SCHEMBL6443067

CC(C)[C@H](NC(=O)Cc1cccnc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
NAPRT Q6XQN6 1/20 0.54
EPHX2 P34913 1/20 0.52
ADAMTS4 O75173 1/20 0.51
ECE1 P42892 1/20 0.49
TBXAS1 P24557 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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 SCHEMBL6445549 0.99 GPR132 (0.57) GPR132CYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL6136502 0.86 CYP1A2 (0.59) GPR132CYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL6136507 0.86 CYP1A2 (0.59) GPR132CYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL24011470 0.84 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9NAPRTEPHX2
SCHEMBL4412844 0.84 POLB (0.59) CYP1A2KDM4EALDH1A1
SCHEMBL4412847 0.84 POLB (0.59) CYP1A2KDM4EALDH1A1
SCHEMBL10432164 0.84 POLB (0.59) CYP1A2KDM4EALDH1A1
SCHEMBL6444115 0.82 CYP3A4 (0.52) GPR132CYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL6446181 0.81 ALDH1A1 (0.65) GPR132L3MBTL1ALDH1A1
SCHEMBL6446176 0.81 ALDH1A1 (0.65) GPR132L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP claimed
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 GPR132 2105/4885CYP1A2 1864/4885CYP3A4 2875/4885

“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.