SCHEMBL3044661

SCHEMBL3044661

COc1cc(-c2cc3cc(CNC4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(C)(=O)=O)CNC2=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ITK Q08881 1/20 0.33
NR1H3 Q13133 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3047033 0.97 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL3053126 0.90 NR1H2 (0.35) NR1H2NR1H3
SCHEMBL3044742 0.90 NR1H2 (0.36) NR1H2MEN1KMT2AITKNR1H3
SCHEMBL3047552 0.90 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL3046720 0.89 NR1H2 (0.35) NR1H2NR1H3
SCHEMBL3037191 0.89 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL3048288 0.89 NR1H2 (0.37) NR1H2KDM4E
SCHEMBL3049037 0.89 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL3040869 0.88 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL3043909 0.87 NR1H2 (0.35) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NR1H2 21/4885MEN1 1165/4885KMT2A 320/4885

“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.