SCHEMBL4040591

SCHEMBL4040591

CCCC(NC(=O)c1ccc(OC)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.53
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 1/20 0.41
CDK5 Q00535 1/20 0.41
PAX8 Q06710 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KMT2A Q03164 4/20 0.41
CTSS P25774 3/20 0.40
CTSL P07711 2/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CCR1 P32246 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL4040279 0.93 CTSK (0.54) CTSKPKMCTSSCTSLPREP
SCHEMBL4053535 0.92 CTSK (0.59) CTSKCTSSCTSLPREPFAP
SCHEMBL4039572 0.92 CTSK (0.51) CTSKRAB9ASMN1; SMN2NPC1PKM
SCHEMBL4043478 0.92 CTSK (0.64) CTSKRAB9ASMN1; SMN2NPC1PKM
SCHEMBL4037909 0.91 CTSK (0.55) CTSKKMT2ACTSSCTSLMAPT
SCHEMBL4041783 0.91 CTSK (0.52) CTSKCTSSCTSLPREPFAP
SCHEMBL4041248 0.90 CTSK (0.55) CTSKPKMCTSSCTSLPREP
SCHEMBL4044295 0.90 CTSK (0.66) CTSKSMN1; SMN2KMT2ACTSSCTSL
SCHEMBL4041590 0.89 CTSK (0.66) CTSKCTSSCTSLPREPFAP
SCHEMBL4045453 0.89 CTSK (0.56) CTSKCTSSCTSLPREPFAP

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 CTSK 2/4885RAB9A 858/4885SMN1; SMN2 3546/4885

“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.