SCHEMBL2063592

SCHEMBL2063592

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCL9 O00512 2/20 0.35
CTNNB1 P35222 2/20 0.35
PTGIR P43119 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM17 P78536 1/20 0.34
ITGB1 P05556 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
SCHEMBL884530 0.94 BCL9 (0.37) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL885934 0.93 HTR1A (0.35) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL884465 0.91 KMT2A (0.37) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2062411 0.90 SMN1; SMN2 (0.42) KMT2AALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL884626 0.90 PKM (0.42) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL884782 0.90 REN (0.38) MEN1KMT2AALDH1A1LMNABCL9
SCHEMBL884750 0.90 KDM4E (0.38) KMT2AALDH1A1LMNASMN1; SMN2BCL9
SCHEMBL884366 0.89 PTGIR (0.37) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL886783 0.89 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL885548 0.88 BCL9 (0.36) MEN1KMT2AALDH1A1LMNABCL9

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
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 MEN1 1487/4885KMT2A 4058/4885ALDH1A1 947/4885

“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.