SCHEMBL6447056

SCHEMBL6447056

CC(CO)NC(=O)C(C=O)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP9 P14780 4/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 1/20 0.46
KMT2A Q03164 1/20 0.45
CTNNB1 P35222 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
ANPEP P15144 1/20 0.43
CASP1 P29466 1/20 0.43
MMP2 P08253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
OPRM1 P35372 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL9668164 0.83 CTNNB1 (0.55) MMEACECPA1ACE2MMP9
SCHEMBL10390031 0.83 CTNNB1 (0.55) MMEACECPA1ACE2MMP9
SCHEMBL9668159 0.83 CTNNB1 (0.55) MMEACECPA1ACE2MMP9
SCHEMBL6444518 0.83 MME (0.48) MMEACECPA1ACE2MMP9
SCHEMBL6447054 0.81 MME (0.46) MMEACECPA1ACE2MMP9
SCHEMBL9665198 0.81 MME (0.48) MMEACECPA1ACE2MMP9
SCHEMBL6444695 0.81 MME (0.48) MMEACECPA1ACE2MMP9
SCHEMBL9667020 0.79 CTNNB1 (0.49) MMEACECPA1ACE2MMP9
SCHEMBL6442868 0.78 MMP9 (0.45) MMEACECPA1ACE2MMP9
SCHEMBL6444804 0.78 SMN1; SMN2 (0.48) MMEACECPA1ACE2MMP9

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US 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 MME 11/4885ACE 29/4885CPA1 247/4885

“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.