Sugi Predict

Sugi Predict / Compounds / SCHEMBL885801

SCHEMBL885801

SCHEMBL885801

CCOC(=O)c1[nH]c(=O)n(-c2ccccc2OCCCOC)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ REN P00797 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 5/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37

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
SCHEMBL885791 0.95 LMNA (0.43) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL885836 0.89 REN (0.42) MAPTSMN1; SMN2RENL3MBTL1KDM4E
SCHEMBL3494243 0.87 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL885725 0.83 REN (0.47) MAPTLMNASMN1; SMN2RENL3MBTL1
SCHEMBL885581 0.83 FAAH (0.47) MAPTRENKDM4EGAAALDH1A1
SCHEMBL885838 0.83 NTRK1 (0.40) MAPTSMN1; SMN2RENL3MBTL1KDM4E
SCHEMBL2062794 0.83 REN (0.56) MAPTRENCYP2C9KDM4EALDH1A1
SCHEMBL3493089 0.82 ALDH1A1 (0.45) MAPTLMNANPC1SMN1; SMN2CYP1A2
SCHEMBL8164725 0.79 REN (0.43) MAPTRENPOLBRXFP1
SCHEMBL886038 0.78 REN (0.42) MAPTLMNASMN1; SMN2RENL3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2847/4885LMNA 824/4885NPC1 1955/4885

“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.