Sugi Predict

Sugi Predict / Compounds / SCHEMBL885584

SCHEMBL885584

SCHEMBL885584

CC(C)CC(=O)NCCn1c(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
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC8 Q9BY41 3/20 0.32
▸ HDAC6 Q9UBN7 3/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ MMP3 P08254 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL886272 0.96 ALDH1A1 (0.32) HDAC1HDAC8HDAC6CHRM1MMP3
SCHEMBL884892 0.93 MMP3 (0.36) MMP3ADAM17ALDH1A1GAALMNA
SCHEMBL885529 0.90 ALDH1A1 (0.35) HDAC1HDAC8HDAC6CHRM1ALDH1A1
SCHEMBL886180 0.90 HDAC1 (0.33) HDAC1HDAC8HDAC6CHRM1MMP3
SCHEMBL884476 0.89 LMNA (0.35) MMP3ADAM17ALDH1A1GAALMNA
SCHEMBL885526 0.88 SMN1; SMN2 (0.34) HDAC1HDAC8HDAC6CHRM1ALDH1A1
SCHEMBL885761 0.88 HDAC1 (0.33) HDAC1HDAC8HDAC6CHRM1MMP3
SCHEMBL885536 0.87 PDE10A (0.34) HDAC1HDAC8HDAC6CHRM1ALDH1A1
SCHEMBL885599 0.86 HDAC1 (0.33) HDAC1HDAC8HDAC6CHRM1ALDH1A1
SCHEMBL886633 0.85 HDAC1 (0.34) HDAC1HDAC8HDAC6CHRM1ALDH1A1

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.