SCHEMBL14580201

SCHEMBL14580201

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
F10 P00742 11/20 0.46
GRM2 Q14416 2/20 0.45
ROCK2 O75116 1/20 0.43
PKM P14618 1/20 0.42
F2 P00734 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 1/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
MAOB P27338 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 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
SCHEMBL14593522 0.92 HDAC1 (0.46) HDAC1F10GRM2F2
SCHEMBL14580203 0.89 MAOB (0.53) F10LMNAMAOAPTGS1MAOB
SCHEMBL5384589 0.87 HDAC1 (0.53) HDAC1F10GRM2LMNAMAOA
SCHEMBL14580196 0.83 MAOA (0.46) F10GRM2LMNAMAOAPTGS1
SCHEMBL5382057 0.82 HDAC1 (0.55) HDAC1GRM2ROCK2MAOAMAOB
SCHEMBL5392289 0.81 HDAC1 (0.46) HDAC1GRM2ROCK2PKMSIGMAR1
SCHEMBL5382065 0.81 HDAC1 (0.47) HDAC1F10GRM2ROCK2
SCHEMBL14580205 0.80 MAOB (0.57) F10LMNAMAOAPTGS1MAOB
SCHEMBL14597106 0.80 GRM2 (0.54) HDAC1F10GRM2ROCK2PKM
SCHEMBL13428161 0.79 GRM2 (0.53) F10GRM2LMNAMAOAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity OXA1L, LSS, MRPL21 HDAC1 148/4885F10 4007/4885GRM2 4272/4885

“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.