SCHEMBL1645286

SCHEMBL1645286

Cc1noc2c(C=O)c(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.53
MAOB P27338 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MGAM O43451 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SI P14410 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL29828688 1.00 ERN1 (0.53) ERN1MAOBBRD4KDM4EMGAM
SCHEMBL4127537 0.82 ERN1 (0.38) ERN1KDM4EALDH1A1LMNAMAPT
SCHEMBL4120392 0.82 ERN1 (0.38) ERN1KDM4EALDH1A1LMNAMAPT
SCHEMBL4120387 0.82 ERN1 (0.38) ERN1KDM4EALDH1A1LMNAMAPT
SCHEMBL4113904 0.80 BRD4 (0.35) ERN1BRD4
SCHEMBL1278957 0.78 ALDH1A1 (0.41) ERN1BRD4KDM4EALDH1A1MCL1
SCHEMBL4536427 0.73 ERN1 (0.45) ERN1BRD4
SCHEMBL29829429 0.73 CA12 (0.38) ERN1ALDH1A1LMNATP53CYP3A4
SCHEMBL27032927 0.73 CA12 (0.38) ERN1ALDH1A1LMNATP53CYP3A4
SCHEMBL4127394 0.71 ALDH1A1 (0.34) ERN1KDM4EALDH1A1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 WO disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US disclosed
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 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 (4 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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R ERN1 4521/4885MAOB 239/4885BRD4 977/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ERN1 3585/4885MAOB 193/4885BRD4 2675/4885
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R ERN1 2995/4885MAOB 862/4885BRD4 738/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ERN1 2323/4885MAOB 3987/4885BRD4 1557/4885

“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.