SCHEMBL884626

SCHEMBL884626

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
GNRHR P30968 1/20 0.38
POLB P06746 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL884750 0.94 KDM4E (0.38) PKMALDH1A1MAPTKMT2AKDM4E
SCHEMBL884782 0.93 REN (0.38) PKMALDH1A1MEN1KMT2ALMNA
SCHEMBL884465 0.92 KMT2A (0.37) PKMALDH1A1MEN1KMT2ALMNA
SCHEMBL2062324 0.92 ALDH1A1 (0.38) PKMALDH1A1MAPTMEN1KMT2A
SCHEMBL885442 0.91 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL2063592 0.90 MEN1 (0.38) PKMALDH1A1MAPTMEN1KMT2A
SCHEMBL885548 0.90 BCL9 (0.36) PKMALDH1A1MEN1KMT2ALMNA
SCHEMBL2062411 0.89 SMN1; SMN2 (0.42) PKMALDH1A1MAPTKMT2AKDM4E
SCHEMBL884530 0.89 BCL9 (0.37) PKMALDH1A1MAPTMEN1KMT2A
SCHEMBL884532 0.88 BCL9 (0.35) PKMALDH1A1MEN1KMT2ALMNA

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
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

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 PKM 638/4885ALDH1A1 947/4885MAPT 2847/4885

“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.