SCHEMBL3045896

SCHEMBL3045896

COc1ccc(S(=O)(=O)Oc2ccc(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c3c2CNC3=O)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NR1H2 P55055 4/20 0.33
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
CHEK1 O14757 1/20 0.32
ACHE P22303 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
SCHEMBL3054403 0.93 NR1H2 (0.36) KMT2ASMN1; SMN2NR1H2CHEK1
SCHEMBL3044144 0.92 NR1H2 (0.33) NR1H2
SCHEMBL3034029 0.92 NR1H2 (0.36) NR1H2
SCHEMBL3042182 0.92 NR1H2 (0.40) SMN1; SMN2NR1H2
SCHEMBL3047451 0.92 NR1H2 (0.40) NR1H2ACHE
SCHEMBL3043784 0.91 BDKRB1 (0.34) SMN1; SMN2NR1H2
SCHEMBL3040414 0.91 NR1H2 (0.34) ALDH1A1NR1H2
SCHEMBL3044012 0.91 NR1H2 (0.37) SMN1; SMN2NR1H2
SCHEMBL3046531 0.91 SMN1; SMN2 (0.35) SMN1; SMN2NR1H2CHEK1
SCHEMBL3039560 0.91 NR1H2 (0.40) NR1H2

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 MEN1 1165/4885KMT2A 320/4885KDM4E 488/4885

“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.