SCHEMBL3519038

SCHEMBL3519038

O=C(CCC(=O)c1ccc2ccccc2c1)NC[C@H]1CN(c2cccc(F)c2N2CCOCC2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
PTGS1 P23219 2/20 0.46
SDHA P31040 2/20 0.46
MAOA P21397 2/20 0.46
LMNA P02545 1/20 0.46
CALML3 P27482 1/20 0.46
F10 P00742 8/20 0.42
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3519046 1.00 MAOB (0.46) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3525477 0.92 MAOB (0.47) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3526403 0.92 MAOB (0.47) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3519815 0.90 MAOB (0.48) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3519820 0.90 MAOB (0.48) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3526326 0.88 F10 (0.47) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3519964 0.88 MAOB (0.48) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3519969 0.88 MAOB (0.48) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3526323 0.88 F10 (0.47) MAOBPTGS1SDHAMAOALMNA
SCHEMBL3519113 0.88 MAOB (0.46) MAOBPTGS1SDHAMAOALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2127/4885PTGS1 3926/4885SDHA 5/4885

“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.