SCHEMBL9108406

SCHEMBL9108406

COC(=O)c1ccc2ccnc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
HTT P42858 2/20 0.40
ALOX15 P16050 2/20 0.40
DYRK1A Q13627 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
NOTUM Q6P988 2/20 0.39
LCK P06239 1/20 0.39
GAA P10253 2/20 0.38
NQO2 P16083 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SDHB P21912 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL4852881 0.85 SCN9A (0.34) SCN5ASCN9APLAUSMN1; SMN2
SCHEMBL9909243 0.83 GAA (0.46) KDM4EHTTL3MBTL1ALDH1A1LMNA
SCHEMBL2671189 0.81 ALOX15 (0.49) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909275 0.80 NOTUM (0.40) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9104948 0.79 CSNK2A1 (0.39) KDM4EHTTDYRK1AL3MBTL1ALDH1A1
SCHEMBL9909162 0.79 NOTUM (0.45) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL16151819 0.79 NOTUM (0.45) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909152 0.79 HTT (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL16502437 0.78 NOTUM (0.42) KDM4EHTTL3MBTL1ALDH1A1LMNA
SCHEMBL10030428 0.78 NOTUM (0.48) KDM4EHTTL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4E 1474/4885KDM6B 1843/4885KDM5C 323/4885

“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.