SCHEMBL886783

SCHEMBL886783

O=C(COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCN(S(=O)(=O)c4ccccc4)C3)c2=O)c1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 4/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.36
ROCK2 O75116 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
PTGIR P43119 2/20 0.36
FKBP1A P62942 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2062411 0.94 SMN1; SMN2 (0.42) SMN1; SMN2LMNAUSP2ALDH1A1ACHE
SCHEMBL885437 0.93 ROCK2 (0.36) SMN1; SMN2LMNAUSP2ALDH1A1ACHE
SCHEMBL884465 0.90 KMT2A (0.37) SMN1; SMN2LMNAALDH1A1PTGIRKMT2A
SCHEMBL2063592 0.89 MEN1 (0.38) SMN1; SMN2LMNAUSP2ALDH1A1HTT
SCHEMBL884591 0.89 KDM4E (0.39) SMN1; SMN2LMNAALDH1A1ACHEROCK2
SCHEMBL884750 0.88 KDM4E (0.38) SMN1; SMN2LMNAALDH1A1HTTKDM4E
SCHEMBL884626 0.88 PKM (0.42) LMNAUSP2ALDH1A1CYP2C9KDM4E
SCHEMBL884530 0.88 BCL9 (0.37) SMN1; SMN2LMNAUSP2ALDH1A1ROCK2
SCHEMBL884782 0.87 REN (0.38) LMNAALDH1A1HTTKMT2AMEN1
SCHEMBL885861 0.87 SMN1; SMN2 (0.37) SMN1; SMN2LMNAUSP2ALDH1A1ACHE

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 SMN1; SMN2 4547/4885LMNA 824/4885USP2 2836/4885

“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.