Sugi Predict

Sugi Predict / Compounds / SCHEMBL884541

SCHEMBL884541

SCHEMBL884541

O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n1CCCNS(=O)(=O)c1ccccc1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 6/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL884320 0.95 LMNA (0.39) CYP2C19LMNASMN1; SMN2ITGB3ITGA2B
SCHEMBL885599 0.93 HDAC1 (0.33) CYP2C19LMNASMN1; SMN2ITGB3ITGA2B
SCHEMBL884523 0.90 MMP3 (0.35) CYP2C19LMNASMN1; SMN2PKMALDH1A1
SCHEMBL884369 0.90 USP5 (0.38) CYP2C19LMNASMN1; SMN2PKMALDH1A1
SCHEMBL884696 0.90 POLB (0.34) LMNASMN1; SMN2ITGB3ITGA2BPKM
SCHEMBL885526 0.88 SMN1; SMN2 (0.34) CYP2C19LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8174751 0.88 ACP1 (0.37) LMNASMN1; SMN2ITGB3ITGA2BPKM
SCHEMBL884476 0.87 LMNA (0.35) CYP2C19LMNASMN1; SMN2PKMALDH1A1
SCHEMBL10224854 0.87 USP5 (0.37) LMNASMN1; SMN2PKMALDH1A1MEN1
SCHEMBL884393 0.87 USP5 (0.39) LMNASMN1; SMN2PKMALDH1A1MAPT

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 CYP2C19 58/4885LMNA 824/4885SMN1; SMN2 4547/4885

“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.