SCHEMBL3589189

SCHEMBL3589189

NC(=O)[C@@H]1CC[C@@H](N)[C@@H](F)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GABRR1 P24046 1/20 0.31
▸ PLG P00747 1/20 0.30
▸ PLAT P00750 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL13887543 1.00 KDM4E (0.32) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL18208189 0.84 GABRR1 (0.48) GABRR1PLGPLATLMNA
SCHEMBL3579841 0.84 GABRR1 (0.48) GABRR1PLGPLATLMNA
SCHEMBL3638013 0.82 KDM4E (0.34) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL23275356 0.79 KMT2A (0.35) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL18216385 0.76 CHRNB2 (0.39) SMN1; SMN2
SCHEMBL5263423 0.76 KDM4E (0.33) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL3580910 0.76 KDM4E (0.33) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL15542332 0.75 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL813890 0.75 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 — — US disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 — — US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 — — US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 — — US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 — — EP disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 — — EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 — — 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA KDM4E 3723/4885MAPT 4179/4885KMT2A 4743/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KDM4E 4273/4885MAPT 4602/4885KMT2A 4834/4885

“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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