SCHEMBL5185595

SCHEMBL5185595

COC(=O)c1nnn(CCSc2ccccc2)c1C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.60
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TP53 P04637 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PABPC1 P11940 1/20 0.41
▸ EIF4H Q15056 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL5187022 0.81 MTNR1A (0.45) LMNASMN1; SMN2CYP1A2TP53GAA
SCHEMBL5252893 0.80 PTGES (0.54) PTGESSMN1; SMN2KMT2A
SCHEMBL5187917 0.78 SMN1; SMN2 (0.46) LMNASMN1; SMN2CYP1A2TP53GAA
SCHEMBL4142631 0.78 CYP1A2 (0.73) PTGESLMNASMN1; SMN2CYP1A2TP53
SCHEMBL5185693 0.76 ALDH1A1 (0.41) LMNASMN1; SMN2CYP1A2TP53GAA
SCHEMBL12251014 0.75 PTGES (0.55) PTGESLMNASMN1; SMN2CYP1A2TP53
SCHEMBL5185323 0.74 L3MBTL1 (0.41) SMN1; SMN2CYP1A2TP53KMT2A
SCHEMBL21228674 0.72 NPC1 (0.56) PTGESLMNASMN1; SMN2CYP1A2TP53
SCHEMBL4142636 0.71 SMN1; SMN2 (0.71) PTGESLMNASMN1; SMN2CYP1A2TP53
SCHEMBL10666333 0.71 NPSR1 (0.57) PTGESLMNASMN1; SMN2CYP1A2TP53

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 — — US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 — — 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS PTGES 685/4885LMNA 2806/4885SMN1; SMN2 4184/4885

“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.

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