SCHEMBL3045802

SCHEMBL3045802

COc1cc(-c2cc3cc(CN4CCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(C)(=O)=O)CNC2=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.34
POLB P06746 1/20 0.33
ACHE P22303 2/20 0.33
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
CHEK1 O14757 1/20 0.32
NQO2 P16083 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
SCHEMBL5049617 0.99 POLB (0.34) NR1H2POLBACHECHEK1
SCHEMBL3039600 0.99 NR1H2 (0.34) NR1H2POLBATRATRIPTBK1
SCHEMBL3162263 0.94 NR1H2 (0.35) NR1H2ACHEATRATRIPTBK1
SCHEMBL3150831 0.94 NR1H2 (0.35) NR1H2ATRATRIPNQO2
SCHEMBL3047312 0.94 ATR (0.38) NR1H2ACHEATRATRIP
SCHEMBL3152046 0.93 NR1H2 (0.33) NR1H2ATRATRIPTBK1NQO2
SCHEMBL3041420 0.93 NR1H2 (0.34) NR1H2ACHETBK1CHEK1
SCHEMBL3050784 0.93 NR1H2 (0.32) NR1H2ATRATRIPNQO2
SCHEMBL3044390 0.92 POLB (0.39) NR1H2POLBACHECHEK1NQO2
SCHEMBL3043957 0.91 NR1H2 (0.33) NR1H2ATRATRIPTBK1

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 2 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

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 21/4885POLB 4110/4885ACHE 1850/4885

“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.