SCHEMBL886180

SCHEMBL886180

CC(C)CS(=O)(=O)NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.33
HDAC8 Q9BY41 7/20 0.33
HDAC6 Q9UBN7 7/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
CHRM1 P11229 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
KDM5A P29375 1/20 0.31
WNT1 P04628 1/20 0.31

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
SCHEMBL885761 0.96 HDAC1 (0.33) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL884623 0.93 MMP3 (0.36) SMN1; SMN2LMNAALDH1A1HPGDMAPK1
SCHEMBL885526 0.91 SMN1; SMN2 (0.34) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL885584 0.90 HDAC1 (0.32) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL884523 0.89 MMP3 (0.35) SMN1; SMN2LMNAALDH1A1HPGDMAPK1
SCHEMBL885529 0.88 ALDH1A1 (0.35) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL886272 0.88 ALDH1A1 (0.32) HDAC1HDAC8HDAC6LMNAALDH1A1
SCHEMBL885599 0.87 HDAC1 (0.33) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL885536 0.85 PDE10A (0.34) HDAC1HDAC8HDAC6SMN1; SMN2LMNA
SCHEMBL885631 0.85 CTSK (0.33) HDAC1HDAC8HDAC6

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 HDAC1 1591/4885HDAC8 2442/4885HDAC6 2869/4885

“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.