SCHEMBL3522661

SCHEMBL3522661

Cc1ccc(C(=O)CCC(=O)NCC2CN(c3cccc(F)c3C3CCNCC3)C(=O)O2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.39
ACKR3 P25106 1/20 0.39
MAOA P21397 7/20 0.38
MAOB P27338 6/20 0.38
LMNA P02545 2/20 0.38
PTGS1 P23219 2/20 0.38
SDHA P31040 2/20 0.38
CALML3 P27482 1/20 0.38
TSHR P16473 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL3522655 1.00 F10 (0.39) F10ACKR3MAOAMAOBLMNA
SCHEMBL3522909 0.95 ACKR3 (0.38) F10ACKR3MAOAMAOBLMNA
SCHEMBL3522915 0.95 ACKR3 (0.38) F10ACKR3MAOAMAOBLMNA
SCHEMBL3523457 0.92 F10 (0.39) F10MAOAMAOBLMNAPTGS1
SCHEMBL3523454 0.92 F10 (0.39) F10MAOAMAOBLMNAPTGS1
SCHEMBL3522784 0.87 PKM (0.37) F10ACKR3MAOAMAOBLMNA
SCHEMBL3522781 0.87 PKM (0.37) F10ACKR3MAOAMAOBLMNA
SCHEMBL3524011 0.86 F10 (0.40) F10MAOAMAOBLMNAPTGS1
SCHEMBL3524004 0.86 F10 (0.40) F10MAOAMAOBLMNAPTGS1
SCHEMBL3521781 0.85 F10 (0.38) F10ACKR3MAOAMAOBLMNA

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 F10 4391/4885ACKR3 3724/4885MAOA 2058/4885

“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.