SCHEMBL886272

SCHEMBL886272

CC(C)CC(=O)NCCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
CHRM1 P11229 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
KDM5A P29375 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL885584 0.96 HDAC1 (0.32) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL884476 0.93 LMNA (0.35) ALDH1A1LMNAMEN1KMT2AMMP3
SCHEMBL885536 0.91 PDE10A (0.34) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL885761 0.90 HDAC1 (0.33) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL884892 0.89 MMP3 (0.36) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL885599 0.89 HDAC1 (0.33) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL886180 0.88 HDAC1 (0.33) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL885529 0.87 ALDH1A1 (0.35) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL885526 0.86 SMN1; SMN2 (0.34) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL2062365 0.84 ALDH1A1 (0.33) ALDH1A1LMNAHTTMEN1KMT2A

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 ALDH1A1 947/4885LMNA 824/4885HDAC1 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.