SCHEMBL23909039

SCHEMBL23909039

CCOC(=O)c1n[nH]c(=O)c2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.48
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
PARP1 P09874 9/20 0.44
BRD4 O60885 1/20 0.43
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PDE4D Q08499 2/20 0.41
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 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
SCHEMBL5951775 0.83 KMT2A (0.58) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL12499437 0.82 KDM4E (0.48) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL1149314 0.82 TSHR (0.59) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL5079536 0.80 HCAR2 (0.58) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL3503658 0.79 BRD4 (0.50) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL7420866 0.79 HCAR2 (0.50) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL7421094 0.78 TSHR (0.51) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL1251876 0.77 ALDH1A1 (0.56) ALDH1A1PARP1
SCHEMBL31549316 0.75 KDM4E (0.42) POLBLMNAKDM4EALDH1A1GAA
SCHEMBL1252284 0.75 TSHR (0.56) LMNAKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 POLB 3606/4885LMNA 449/4885KDM4E 3835/4885

“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.