SCHEMBL1646301

SCHEMBL1646301

COC(=O)c1c(O)ccc2nc(C)oc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
ESR1 P03372 1/20 0.39
MAPK10 P53779 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 8/20 0.39
MTNR1B P49286 8/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL29829130 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1645291 0.84 CA9 (0.42) CA9KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL25278598 0.83 CA9 (0.53) CA9KMT2AMEN1MAPTESR1
SCHEMBL31022723 0.83 CA9 (0.53) CA9KMT2AMEN1MAPTESR1
SCHEMBL27032981 0.75 CA9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL30878145 0.75 CA9 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8674319 0.74 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL30843991 0.74 ALDH1A1 (0.43) KMT2AKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL24950067 0.74 ALDH1A1 (0.43) KMT2AKDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL9118476 0.73 ESR2 (0.42) KMT2AMEN1SMN1; SMN2MAPTESR1

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-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-08-28 US disclosed
EP-4587012-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 EP disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
WO-2024056791-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 WO 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
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 CA12 2832/4885CA1 1482/4885CA2 1179/4885
US-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS CFTR, RRS1, PKD1 CA12 4653/4885CA1 4835/4885CA2 2420/4885
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R CA12 3195/4885CA1 1569/4885CA2 1082/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 CA12 4802/4885CA1 4862/4885CA2 2641/4885

“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.