SCHEMBL22498032

SCHEMBL22498032

COc1cc2nc(C3COCCO3)cn2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 18/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL22498206 0.85 MTOR (0.32) SUV39H2KDM4ENPC1ALDH1A1HPGD
SCHEMBL22498078 0.85 MTOR (0.32) SUV39H2KDM4ENPC1ALDH1A1HPGD
SCHEMBL22525103 0.79 PSEN1 (0.43) SUV39H2KDM4ENPC1ALDH1A1HPGD
SCHEMBL22235186 0.76 SUV39H2 (0.41) SUV39H2KDM4ENPC1ALDH1A1HPGD
SCHEMBL29085358 0.73 IRAK4 (0.47)
SCHEMBL24607427 0.73 SUV39H2 (0.40) SUV39H2KDM4ENPC1ALDH1A1HPGD
SCHEMBL27191644 0.72 IRAK4 (0.46)
SCHEMBL29381644 0.70 IRAK4 (0.56)
SCHEMBL22052726 0.70 TYK2 (0.40) ALDH1A1
SCHEMBL24033633 0.70 ALDH1A1 (0.43) SUV39H2KDM4ENPC1ALDH1A1HPGD

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
US-20220296573-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2022-09-22 US disclosed
EP-3947374-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-02-09 EP disclosed
WO-2020200898-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO disclosed
WO-2020200898-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 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 (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-20220296573-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS LTB4R2, LTC4S, LTB4R SUV39H2 3307/4885KDM4E 2680/4885NPC1 744/4885

“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.