SCHEMBL3586182

SCHEMBL3586182

CO[C@@H]1C[C@H](C(=O)N(C)c2cccc3cccnc23)CC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33
FASN P49327 2/20 0.33
F2R P25116 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
REN P00797 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
SCHEMBL3571183 0.84 MAPT (0.43) MAPTALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL3577441 0.81 ALDH1A1 (0.35) MAPTALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL4039798 0.78 KDM4E (0.36) MAPTALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL3584611 0.78 KDM4E (0.36) MAPTALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL3586177 0.73 PLAU (0.44) MAPTALDH1A1GAAPOLBHSD17B10
SCHEMBL3586179 0.73 PLAU (0.44) MAPTALDH1A1GAAPOLBHSD17B10
SCHEMBL5636179 0.70 KDM4D (0.33) ALDH1A1KDM4EHPGDKDM1AMAOB
SCHEMBL5260297 0.70 KDM4D (0.33) ALDH1A1KDM4EHPGDKDM1AMAOB
SCHEMBL3568891 0.69 BTK (0.43) L3MBTL1GAAKDM1AMAOB
SCHEMBL3578826 0.69 BTK (0.57) L3MBTL1GAAKDM1AMAOB

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-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
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 MAPT 4179/4885ALDH1A1 2290/4885KDM4E 3723/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS MAPT 4602/4885ALDH1A1 2504/4885KDM4E 4273/4885

“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.