SCHEMBL4040909

SCHEMBL4040909

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2cccnc2)CCCCC1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 1/20 0.36
HDAC1 Q13547 7/20 0.36
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
HTR2A P28223 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CHRM4 P08173 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4039472 0.89 HDAC1 (0.35) HDAC1SMYD3DPP4PREPHDAC3
SCHEMBL4039814 0.88 HDAC1 (0.36) GPR132HDAC1DRD2DRD4HTR2A
SCHEMBL4043068 0.87 HDAC1 (0.36) HDAC1DRD2DRD4HTR2ADPP4
SCHEMBL4048563 0.87 HDAC1 (0.40) GPR132HDAC1DRD2DRD4HTR2A
SCHEMBL4046192 0.87 LMNA (0.40) GPR132SMYD3ALDH1A1
SCHEMBL4043452 0.86 GPR132 (0.42) GPR132SMYD3CHRM4
SCHEMBL4214143 0.83 DPP4 (0.36) HDAC1DRD2DRD4HTR2ADPP4
SCHEMBL4043621 0.83 CTSK (0.39) HDAC1DRD2DRD4HTR2ADPP4
SCHEMBL6210587 0.82 HDAC1 (0.42) HDAC1DRD2DRD4HTR2ADPP4
SCHEMBL4042901 0.81 CTSK (0.47) HDAC1CHRNB2CHRNA7CHRNA4CTSL

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 6 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

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 GPR132 844/4885HDAC1 261/4885DRD2 4001/4885

“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.