SCHEMBL884945

SCHEMBL884945

COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCC[C@H]3O)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 2/20 0.45
RECQL P46063 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 5/20 0.43
USP2 O75604 4/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
HIF1A Q16665 3/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
TMEM97 Q5BJF2 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL2062699 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1LMNARECQL
SCHEMBL884466 0.93 KDM4E (0.42) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL2062327 0.93 KDM4E (0.42) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL2062692 0.93 KDM4E (0.42) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL884507 0.92 REN (0.39) KMT2AALDH1A1MEN1LMNARECQL
SCHEMBL885006 0.91 ALDH1A1 (0.37) KMT2AALDH1A1MEN1LMNARECQL
SCHEMBL2062489 0.89 RXFP1 (0.40) KMT2AALDH1A1MEN1LMNACYP3A4
SCHEMBL884501 0.89 PTGIR (0.37) KMT2AALDH1A1MEN1LMNARECQL
SCHEMBL886063 0.88 ALDH1A1 (0.35) KMT2AALDH1A1MEN1LMNARECQL
SCHEMBL885883 0.88 ALDH1A1 (0.38) KMT2AALDH1A1LMNARECQLKDM4E

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

“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.