SCHEMBL5583709

SCHEMBL5583709

COC(=O)c1nc(OC)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
XDH P47989 1/20 0.43
NNMT P40261 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL17892764 0.84 NPSR1 (0.47) NPSR1ALDH1A1KDM4EPOLBTDP1
SCHEMBL388845 0.83 NPSR1 (0.50) NPSR1ALDH1A1KDM4EPOLBTDP1
SCHEMBL29829085 0.83 NPSR1 (0.50) NPSR1ALDH1A1KDM4EPOLBTDP1
SCHEMBL5583783 0.83 TDP1 (0.53) ALDH1A1KDM4EPOLBTDP1CA1
SCHEMBL14458102 0.83 POLB (0.44) ALDH1A1KDM4EPOLBTDP1NNMT
SCHEMBL25179981 0.81 NPSR1 (0.48) NPSR1ALDH1A1KDM4EPOLBTDP1
SCHEMBL7902874 0.81 POLB (0.51) NPSR1ALDH1A1KDM4EPOLBTDP1
SCHEMBL3860719 0.80 NPSR1 (0.47) NPSR1ALDH1A1KDM4EPOLBTDP1
SCHEMBL4257399 0.80 NPSR1 (0.47) NPSR1ALDH1A1KDM4EPOLBTDP1
SCHEMBL31663021 0.80 NPSR1 (0.47) NPSR1ALDH1A1KDM4EPOLBTDP1

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 6 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
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 WO disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 NPSR1 1881/4885ALDH1A1 2257/4885KDM4E 4646/4885

“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.