SCHEMBL3523459

SCHEMBL3523459

Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccccc3C3CCNCC3F)C(=O)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.33
GRM2 Q14416 1/20 0.33
PKM P14618 1/20 0.33
F10 P00742 4/20 0.33
MAOB P27338 3/20 0.32
MAOA P21397 2/20 0.32
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
CALML3 P27482 1/20 0.32
SDHA P31040 1/20 0.32
ITGB3 P05106 3/20 0.32
PRSS1 P07477 3/20 0.32
PRSS2 P07478 3/20 0.32
ITGA2B P08514 3/20 0.32
PRSS3 P35030 3/20 0.32
POLB P06746 2/20 0.32
HCRTR1 O43613 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL3524012 0.94 F10 (0.36) F10MAOBMAOALMNAPTGS1
SCHEMBL3525596 0.92 F10 (0.38) TSHRGRM2F10ITGB3ITGA2B
SCHEMBL3525099 0.92 GRM2 (0.37) L3MBTL1GRM2LMNAKMT2ACHRM1
SCHEMBL3522663 0.92 TSHR (0.35) TSHRPKMF10MAOBMAOA
SCHEMBL3524540 0.91 F10 (0.40) F10MAOBMAOALMNAPTGS1
SCHEMBL6822916 0.91 F10 (0.40) F10MAOBMAOALMNAPTGS1
SCHEMBL3526042 0.89 PARP1 (0.35) F10MAOBCHRM1
SCHEMBL6823337 0.89 PARP1 (0.35) F10MAOBCHRM1
SCHEMBL3521790 0.85 ALDH1A1 (0.35) F10MAOBCHRM1ALDH1A1
SCHEMBL3522293 0.85 F10 (0.41) L3MBTL1F10MAOBPOLBKMT2A

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-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 L3MBTL1 2958/4885TSHR 3344/4885GRM2 4031/4885

“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.