SCHEMBL3519368

SCHEMBL3519368

NCC1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.70
MAOA P21397 4/20 0.70
F10 P00742 8/20 0.63
LMNA P02545 1/20 0.54
PTGS1 P23219 1/20 0.54
CALML3 P27482 1/20 0.54
SDHA P31040 1/20 0.54

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
SCHEMBL77866 1.00 MAOB (0.70) MAOBMAOAF10LMNAPTGS1
Hydrochloric Acid SCHEMBL2152055 0.99 MAOB (0.68) MAOBMAOAF10LMNAPTGS1
Hydrochloric Acid SCHEMBL2152061 0.99 MAOB (0.68) MAOBMAOAF10LMNAPTGS1
SCHEMBL18396751 0.96 MAOB (0.65) MAOBMAOAF10LMNAPTGS1
SCHEMBL18396752 0.96 MAOB (0.65) MAOBMAOAF10LMNAPTGS1
SCHEMBL18396724 0.93 MAOB (0.62) MAOBMAOAF10LMNAPTGS1
SCHEMBL18396726 0.93 MAOB (0.62) MAOBMAOAF10LMNAPTGS1
SCHEMBL3523989 0.90 F10 (0.59) MAOBMAOAF10LMNAPTGS1
SCHEMBL3523994 0.90 F10 (0.59) MAOBMAOAF10LMNAPTGS1
SCHEMBL8306792 0.89 MAOB (0.73) MAOBMAOAF10LMNAPTGS1

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 4 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-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 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 MAOB 2127/4885MAOA 2058/4885F10 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.