SCHEMBL4042835

SCHEMBL4042835

NC(=O)C1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SMYD3 Q9H7B4 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.35
USP2 O75604 1/20 0.35
NAMPT P43490 1/20 0.35
FKBP1A P62942 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GHSR Q92847 1/20 0.34

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
SCHEMBL4048157 0.89 HPGD (0.43) HPGDKDM4ESMYD3POLBALDH1A1
SCHEMBL4044516 0.87 CNR2 (0.35) HPGDALDH1A1LMNA
SCHEMBL4046437 0.86 FKBP1A (0.41) SMYD3FKBP1A
SCHEMBL4047201 0.83 CTSK (0.43) SMYD3
SCHEMBL4043495 0.79 PARP1 (0.38) KDM4EALDH1A1NAMPT
SCHEMBL4042101 0.79 CTSL (0.33)
SCHEMBL6208880 0.79 KDM4E (0.42) HPGDKDM4ESMYD3POLBALDH1A1
SCHEMBL6211627 0.78
SCHEMBL4038260 0.78 CTSK (0.38) HPGDKDM4ESMYD3POLBALDH1A1
SCHEMBL4045821 0.78 PARP1 (0.35) ALDH1A1TSHRHSD11B1

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
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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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 3911/4885SMYD3 4011/4885

“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.