SCHEMBL884600

SCHEMBL884600

CC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(Cc3cccc(Oc4ccccc4)c3)c2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.39
CCR8 P51685 3/20 0.38
KMT2A Q03164 3/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.37
BTK Q06187 4/20 0.37
TEC P42680 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL885504 0.94 ALDH1A1 (0.42) KDM4EALDH1A1LMNACHRM3KMT2A
SCHEMBL884402 0.93 PTGIR (0.36) KDM4EALDH1A1LMNAPOLBKMT2A
SCHEMBL884549 0.91 REN (0.39) KDM4EALDH1A1LMNACHRM3KMT2A
SCHEMBL2062942 0.91 CYP2D6 (0.37) KDM4EALDH1A1POLBTSHR
SCHEMBL884381 0.90 KMT2A (0.39) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL884366 0.90 PTGIR (0.37) KDM4EALDH1A1LMNASMN1; SMN2CHRM3
SCHEMBL2062724 0.89 PTGIR (0.34) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL884884 0.88 PTGIR (0.36) ALDH1A1SMN1; SMN2KMT2ABTKTSHR
SCHEMBL884591 0.88 KDM4E (0.39) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL2062941 0.88 KDM4E (0.38) KDM4EALDH1A1LMNAKMT2ABTK

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 2733/4885ALDH1A1 947/4885LMNA 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.