SCHEMBL885599

SCHEMBL885599

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 6/20 0.32
SMN1; SMN2 Q16637 6/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 4/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM1 P11229 1/20 0.31
STAT3 P40763 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
SCHEMBL885526 0.96 SMN1; SMN2 (0.34) HDAC1HDAC8HDAC6CYP2C19LMNA
SCHEMBL884541 0.93 CYP2C19 (0.36) CYP2C19LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL885761 0.91 HDAC1 (0.33) HDAC1HDAC8HDAC6LMNASMN1; SMN2
SCHEMBL885536 0.90 PDE10A (0.34) HDAC1HDAC8HDAC6CYP2C19LMNA
SCHEMBL886272 0.89 ALDH1A1 (0.32) HDAC1HDAC8HDAC6LMNAALDH1A1
SCHEMBL884320 0.88 LMNA (0.39) CYP2C19LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL885529 0.88 ALDH1A1 (0.35) HDAC1HDAC8HDAC6LMNASMN1; SMN2
SCHEMBL886180 0.87 HDAC1 (0.33) HDAC1HDAC8HDAC6LMNASMN1; SMN2
SCHEMBL886798 0.86 ENPP2 (0.35) HDAC1HDAC8HDAC6LMNASMN1; SMN2
SCHEMBL886633 0.86 HDAC1 (0.34) HDAC1HDAC8HDAC6CYP2C19LMNA

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 10 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

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.