SCHEMBL425321

SCHEMBL425321

C=CCc1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.60
HCAR3 P49019 13/20 0.58
TSHR P16473 2/20 0.55
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.51
APEX1 P27695 1/20 0.48

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
SCHEMBL17512440 0.88 HCAR3 (0.62) CASP6HCAR3TSHRLMNAAPEX1
SCHEMBL1609806 0.82 CASP6 (0.66) CASP6HCAR3TSHRPOLBLMNA
SCHEMBL18027781 0.82 CASP6 (0.66) CASP6HCAR3TSHRPOLBLMNA
SCHEMBL7643058 0.81 CASP6 (0.64) CASP6HCAR3TSHRPOLBLMNA
SCHEMBL15174048 0.81 CASP6 (0.64) CASP6HCAR3TSHRPOLBLMNA
Hydrochloric Acid SCHEMBL1609389 0.81 CASP6 (0.64) CASP6HCAR3TSHRPOLBLMNA
SCHEMBL7712101 0.79 CASP6 (0.62) CASP6HCAR3TSHRPOLBLMNA
SCHEMBL11789708 0.79 ALDH1A1 (0.44) CASP6HCAR3TSHRPOLB
SCHEMBL20185172 0.78 CASP6 (0.60) CASP6HCAR3TSHRPOLBLMNA
SCHEMBL17399916 0.78 CASP6 (0.60) CASP6HCAR3TSHRPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 CASP6 4705/4885HCAR3 3089/4885TSHR 1610/4885

“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.