SCHEMBL4037440

SCHEMBL4037440

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.43
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM4 P08173 1/20 0.36
MMP13 P45452 1/20 0.36
NAMPT P43490 1/20 0.36
ACE P12821 2/20 0.36
FAAH O00519 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL4037636 0.88 CTSK (0.42) GPR132NPC1RAB9ANAMPTLMNA
SCHEMBL4043452 0.86 GPR132 (0.42) GPR132NPC1TP53RECQLRAB9A
SCHEMBL4048563 0.85 HDAC1 (0.40) GPR132CHRM4CHRNB2CHRNA7CHRNA4
SCHEMBL4041246 0.83 MMP1 (0.38) GPR132NPC1TP53RECQLRAB9A
SCHEMBL4042029 0.82 GPR132 (0.38) GPR132NPC1TP53RECQLRAB9A
SCHEMBL4041513 0.81 CTSK (0.39) NPC1RAB9ACHRM4MMP13
SCHEMBL6212722 0.81 CHRM4 (0.43) CHRM4MMP13NAMPT
SCHEMBL4043502 0.80 TNKS (0.39) NAMPTHRH3KDM4EMAPTSIGMAR1
SCHEMBL4046951 0.80 CTSK (0.47) GPR132NPC1TP53RECQLRAB9A
SCHEMBL4042595 0.80 CTSK (0.57) GPR132MMP13ACECHRNB2CHRNA7

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 GPR132 844/4885NPC1 787/4885TP53 1281/4885

“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.