SCHEMBL3045855

SCHEMBL3045855

COc1cc(-c2cc3cc(C=O)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(=O)(=O)c1ccccc1C#N)CNC2=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.42
NR1H3 Q13133 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PKM P14618 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
SCHEMBL3048280 0.88 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBP
SCHEMBL5048292 0.88 NR1H2 (0.40) NR1H2NR1H3BRD4CREBBP
SCHEMBL3034068 0.88 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBP
SCHEMBL3039557 0.87 NR1H2 (0.40) NR1H2NR1H3PKM
SCHEMBL3048129 0.85 NR1H2 (0.33) NR1H2NR1H3BRD4CREBBP
SCHEMBL3046227 0.83 NR1H2 (0.38) NR1H2NR1H3BRD4CREBBP
SCHEMBL3043790 0.79 NR1H2 (0.45) NR1H2NR1H3BRD4CREBBP
SCHEMBL3034057 0.78 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL3046509 0.77 NR1H2 (0.38) NR1H2NR1H3BRD4CREBBP
SCHEMBL3040869 0.77 NR1H2 (0.41) 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 21/4885NR1H3 25/4885BRD4 47/4885

“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.