SCHEMBL3519956

SCHEMBL3519956

COc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3N3CCSCC3)C(=O)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
F10 P00742 2/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.37
PTGS1 P23219 1/20 0.37
CALML3 P27482 1/20 0.37
SDHA P31040 1/20 0.37
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 0.36
MMP1 P03956 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3519953 1.00 MAOA (0.47) MAOAMAOBF10ALDH1A1L3MBTL1
SCHEMBL3519116 0.92 MAOB (0.46) MAOAMAOBF10ALDH1A1L3MBTL1
SCHEMBL3519113 0.92 MAOB (0.46) MAOAMAOBF10ALDH1A1L3MBTL1
SCHEMBL3527698 0.90 MAOB (0.49) MAOAMAOBF10LMNAPTGS1
SCHEMBL3527694 0.90 MAOB (0.49) MAOAMAOBF10LMNAPTGS1
SCHEMBL3526434 0.90 MAOB (0.47) MAOAMAOBF10
SCHEMBL3526429 0.90 MAOB (0.47) MAOAMAOBF10
SCHEMBL3524148 0.89 MAOA (0.50) MAOAMAOBF10LMNAPTGS1
SCHEMBL3524152 0.89 MAOA (0.50) MAOAMAOBF10LMNAPTGS1
SCHEMBL3521792 0.88 MAOB (0.46) MAOAMAOBF10LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 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-20050192275-A1 Novel antimycobacterial compounds MDH1, IMMT, MLYCD MAOA 2058/4885MAOB 2127/4885F10 4391/4885

“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.