SCHEMBL23909083

SCHEMBL23909083

COC(=O)Cc1nn(CC(=O)OC(C)(C)C)c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SLC16A3 O15427 1/20 0.42
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.40
S1PR2 O95136 1/20 0.39
EGFR P00533 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 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
SCHEMBL23908941 0.90 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL23915446 0.87 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL23909132 0.85 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL23909042 0.84 TSHR (0.55) SMN1; SMN2ALDH1A1KMT2ATSHRMAPT
SCHEMBL23915488 0.82 GAA (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL23909057 0.82 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL28260027 0.79 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7745499 0.79 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL13329858 0.78 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL31202544 0.77 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A

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 4 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
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 KDM4E 3835/4885SMN1; SMN2 2920/4885ALDH1A1 944/4885

“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.