SCHEMBL3524012

SCHEMBL3524012

O=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2ccccc2C2CCNCC2F)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.36
KMT2A Q03164 1/20 0.34
CHRM1 P11229 1/20 0.33
MAOB P27338 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
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
CCR2 P41597 1/20 0.32
ITGB3 P05106 7/20 0.32
ITGA2B P08514 6/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
ITGAV P06756 1/20 0.31

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
SCHEMBL3523459 0.94 L3MBTL1 (0.35) F10KMT2ACHRM1MAOBALDH1A1
SCHEMBL3525596 0.94 F10 (0.38) F10CHRM1CCR2ITGB3ITGA2B
SCHEMBL3525099 0.92 GRM2 (0.37) KMT2ACHRM1ALDH1A1HTTLMNA
SCHEMBL3524540 0.91 F10 (0.40) F10KMT2AMAOBMAOALMNA
SCHEMBL6822916 0.91 F10 (0.40) F10KMT2AMAOBMAOALMNA
SCHEMBL3526042 0.91 PARP1 (0.35) F10CHRM1MAOB
SCHEMBL6823337 0.91 PARP1 (0.35) F10CHRM1MAOB
SCHEMBL3522293 0.88 F10 (0.41) F10KMT2AMAOBALDH1A1
SCHEMBL3521790 0.88 ALDH1A1 (0.35) F10CHRM1MAOBALDH1A1
SCHEMBL3522663 0.87 TSHR (0.35) F10KMT2ACHRM1MAOBALDH1A1

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 4391/4885KMT2A 3434/4885CHRM1 3620/4885

“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.