SCHEMBL4048157

SCHEMBL4048157

NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD11B1 P28845 1/20 0.36
KCNQ1 P51787 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.35
NAMPT P43490 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL4042835 0.89 HPGD (0.42) HPGDKDM4EPOLBSMYD3CYP3A4
SCHEMBL4046440 0.85 FKBP1A (0.40) SMYD3NAMPT
SCHEMBL4047202 0.82 CTSK (0.44) SMYD3
SCHEMBL4041246 0.80 MMP1 (0.38) HPGDKDM4ESMYD3CYP3A4CYP2C19
SCHEMBL4038260 0.80 CTSK (0.38) HPGDKDM4EPOLBSMYD3LMNA
SCHEMBL4043502 0.79 TNKS (0.39) KDM4EALDH1A1MAPTNAMPT
SCHEMBL4045390 0.78 HPGD (0.41) HPGDKDM4EPOLBCYP3A4CYP2C19
SCHEMBL6208880 0.78 KDM4E (0.42) HPGDKDM4EPOLBSMYD3CYP3A4
SCHEMBL4045826 0.77 TSHR (0.35) KDM4ECYP3A4TSHRALDH1A1HSD11B1
SCHEMBL4047525 0.77 KDM4E (0.41) HPGDKDM4EPOLBSMYD3CYP3A4

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP 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 (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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS HPGD 1402/4885KDM4E 3911/4885POLB 3780/4885

“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.