SCHEMBL886798

SCHEMBL886798

Cn1cc(S(=O)(=O)N2CCCC(n3c(-c4ccccc4)c(C(=O)N4CCNCC4)n(CC4CCCCC4)c3=O)C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.35
BRD4 O60885 3/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
CHRM1 P11229 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.32
USP19 O94966 1/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
CNR1 P21554 1/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL884467 0.91 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1HPGDMAPK1
SCHEMBL886633 0.89 HDAC1 (0.34) BRD4HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL885526 0.87 SMN1; SMN2 (0.34) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL885529 0.86 ALDH1A1 (0.35) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL885599 0.86 HDAC1 (0.33) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL884554 0.85 TDP1 (0.34) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL885536 0.85 PDE10A (0.34) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL885584 0.85 HDAC1 (0.32) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL886180 0.85 HDAC1 (0.33) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL2062369 0.84 SMN1; SMN2 (0.34) HDAC1HDAC8HDAC6SMN1; SMN2LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT ENPP2 2133/4885BRD4 3102/4885HDAC1 1591/4885

“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.