SCHEMBL884750

SCHEMBL884750

O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n1Cc1cccc(Oc2ccccc2)c1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CHRM3 P20309 1/20 0.37
BCL9 O00512 2/20 0.37
CTNNB1 P35222 2/20 0.37
POLB P06746 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KMT2A Q03164 2/20 0.36
MGLL Q99685 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR8 P51685 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL884626 0.94 PKM (0.42) KDM4ELMNAALDH1A1GAABCL9
SCHEMBL884465 0.93 KMT2A (0.37) SMN1; SMN2LMNAALDH1A1BCL9CTNNB1
SCHEMBL884654 0.92 POLB (0.35) KDM4ESMN1; SMN2LMNAALDH1A1GAA
SCHEMBL885755 0.91 KMT2A (0.36) KDM4ESMN1; SMN2LMNAALDH1A1GAA
SCHEMBL885442 0.91 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1POLBAKR1C3
SCHEMBL884782 0.91 REN (0.38) LMNAALDH1A1GAABCL9CTNNB1
SCHEMBL2062411 0.90 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2LMNAALDH1A1POLB
SCHEMBL2063592 0.90 MEN1 (0.38) SMN1; SMN2LMNAALDH1A1GAABCL9
SCHEMBL885548 0.89 BCL9 (0.36) LMNAALDH1A1BCL9CTNNB1AKR1C3
SCHEMBL885607 0.88 ALDH1A1 (0.38) KDM4ESMN1; SMN2LMNAALDH1A1GAA

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 KDM4E 2733/4885SMN1; SMN2 4547/4885LMNA 824/4885

“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.