SCHEMBL3525098

SCHEMBL3525098

COc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3C3CCNCC3)C(=O)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
LMNA P02545 2/20 0.36
PTGS1 P23219 1/20 0.36
CALML3 P27482 1/20 0.36
SDHA P31040 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 0.36
MMP1 P03956 1/20 0.36
PARP1 P09874 2/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
GRM2 Q14416 2/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL3525095 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1F10MAOBMAOA
SCHEMBL3523454 0.92 F10 (0.39) L3MBTL1F10MAOBMAOALMNA
SCHEMBL3523457 0.92 F10 (0.39) L3MBTL1F10MAOBMAOALMNA
SCHEMBL3524011 0.91 F10 (0.40) F10MAOBMAOALMNAPTGS1
SCHEMBL3524004 0.91 F10 (0.40) F10MAOBMAOALMNAPTGS1
SCHEMBL3525588 0.90 F10 (0.42) F10MAOBMAOALMNAPTGS1
SCHEMBL3525594 0.90 F10 (0.42) F10MAOBMAOALMNAPTGS1
SCHEMBL3524539 0.89 F10 (0.41) F10MAOBMAOALMNAPTGS1
SCHEMBL3524536 0.89 F10 (0.41) F10MAOBMAOALMNAPTGS1
SCHEMBL3519375 0.88 F10 (0.37) F10MAOBMAOALMNAPTGS1

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 ALDH1A1 1995/4885L3MBTL1 2958/4885F10 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.