SCHEMBL885536

SCHEMBL885536

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.34
ALDH1A1 P00352 4/20 0.33
NAMPT P43490 1/20 0.33
USP5 P45974 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
ADORA1 P30542 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
SCHEMBL885529 0.96 ALDH1A1 (0.35) PDE10AALDH1A1NAMPTUSP5HDAC1
SCHEMBL884369 0.92 USP5 (0.38) ALDH1A1NAMPTUSP5SLC6A2SLC6A4
SCHEMBL886272 0.91 ALDH1A1 (0.32) ALDH1A1HDAC1HDAC8HDAC6LMNA
SCHEMBL885599 0.90 HDAC1 (0.33) ALDH1A1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL10224854 0.89 USP5 (0.37) ALDH1A1NAMPTUSP5SMN1; SMN2LMNA
SCHEMBL885761 0.88 HDAC1 (0.33) ALDH1A1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL884393 0.88 USP5 (0.39) ALDH1A1NAMPTUSP5SMN1; SMN2LMNA
SCHEMBL885526 0.88 SMN1; SMN2 (0.34) ALDH1A1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL885584 0.87 HDAC1 (0.32) PDE10AALDH1A1HDAC1HDAC8HDAC6
SCHEMBL886633 0.85 HDAC1 (0.34) ALDH1A1HDAC1HDAC8HDAC6SMN1; SMN2

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 PDE10A 201/4885ALDH1A1 947/4885NAMPT 833/4885

“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.