Sugi Predict

Sugi Predict / Compounds / SCHEMBL885607

SCHEMBL885607

SCHEMBL885607

O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n1Cc1cccc(OCCOc2cccnc2)c1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP4F2 P78329 3/20 0.35
▸ CYP4A11 Q02928 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CASP1 P29466 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 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
SCHEMBL884465 0.94 KMT2A (0.37) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL885566 0.94 HTR1A (0.36) ALDH1A1LMNAL3MBTL1KDM4EHSD17B10
SCHEMBL884782 0.91 REN (0.38) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL885548 0.89 BCL9 (0.36) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL2062941 0.89 KDM4E (0.38) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL884750 0.88 KDM4E (0.38) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL2062532 0.88 HTR1A (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2TSHR
SCHEMBL884626 0.88 PKM (0.42) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL884303 0.88 KDM4E (0.36) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL2062411 0.87 SMN1; SMN2 (0.42) ALDH1A1LMNASMN1; SMN2KDM4EMAPT

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 ALDH1A1 947/4885LMNA 824/4885MAPK1 864/4885

“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.