SCHEMBL5384589

SCHEMBL5384589

CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccccc4)C3=O)cc2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
F10 P00742 7/20 0.52
MAOA P21397 4/20 0.52
MAOB P27338 2/20 0.52
LMNA P02545 1/20 0.52
PTGS1 P23219 1/20 0.52
CALML3 P27482 1/20 0.52
SDHA P31040 1/20 0.52
ABCB11 O95342 1/20 0.48
GRM2 Q14416 1/20 0.47
CMA1 P23946 1/20 0.47

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
SCHEMBL14580201 0.87 HDAC1 (0.48) HDAC1F10MAOAMAOBLMNA
SCHEMBL14593522 0.85 HDAC1 (0.46) HDAC1F10GRM2
SCHEMBL5382057 0.84 HDAC1 (0.55) HDAC1MAOAMAOBCALML3GRM2
SCHEMBL6097066 0.84 F10 (0.64) F10MAOAMAOBLMNAPTGS1
SCHEMBL27951203 0.84 F10 (0.64) F10MAOAMAOBLMNAPTGS1
SCHEMBL5386217 0.82 MAOA (0.58) F10MAOAMAOBLMNAPTGS1
SCHEMBL14597106 0.82 GRM2 (0.54) HDAC1F10GRM2
SCHEMBL9550276 0.82 MAOA (0.57) F10MAOAMAOBLMNAPTGS1
SCHEMBL9550299 0.82 MAOA (0.57) F10MAOAMAOBLMNAPTGS1
SCHEMBL10162837 0.82 F10 (0.52) F10MAOAMAOBLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1656083-A Novel heterocyclic compounds having antibacterial activity, process for their preparation and pharmaceutical compositions containing them REDDY RES FOUNDATION (IN) 2005-08-17 CN claimed
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2004-03-25 US claimed
US-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7160912-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR.REDDY'S LABORATORIES LTD. (IN) 2007-01-09 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-7030148-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2006-04-18 US disclosed
CN-1656083-A Novel heterocyclic compounds having antibacterial activity, process for their preparation and pharmaceutical compositions containing them REDDY RES FOUNDATION (IN) 2005-08-17 CN disclosed
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2004-03-25 US disclosed
US-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION 2003-04-03 US 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 (3 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-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity OXA1L, LSS, MRPL21 HDAC1 148/4885F10 4007/4885MAOA 2014/4885
US-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX HDAC1 1279/4885F10 1269/4885MAOA 460/4885
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX HDAC1 1136/4885F10 1429/4885MAOA 456/4885

“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.