SCHEMBL3572910

SCHEMBL3572910

COc1ccc2cccc(CCC3(O)CCC(NCc4cnc5c(c4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
MTNR1A P48039 8/20 0.41
MTNR1B P49286 8/20 0.41
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL13633343 1.00 KCNH2 (0.46) KCNH2MTNR1AMTNR1BSIRT2
SCHEMBL13638251 0.88 MTNR1A (0.43) KCNH2MTNR1AMTNR1BSIRT2
SCHEMBL3572912 0.87 MTNR1A (0.38) KCNH2MTNR1AMTNR1B
SCHEMBL13407409 0.80 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL3574972 0.80 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL6102949 0.78 KCNH2 (0.39) KCNH2MTNR1AMTNR1BSIRT2
SCHEMBL14341402 0.76 KCNH2 (0.68) KCNH2
SCHEMBL20679509 0.76 MTNR1A (0.43) KCNH2MTNR1AMTNR1B
SCHEMBL6195137 0.74 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL3582737 0.73 KCNH2 (0.54) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (3 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KCNH2 3180/4885MTNR1A 698/4885MTNR1B 1089/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA KCNH2 2854/4885MTNR1A 4164/4885MTNR1B 4015/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KCNH2 3731/4885MTNR1A 4104/4885MTNR1B 4079/4885

“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.