SCHEMBL9909204

SCHEMBL9909204

COC(=O)c1cc(Cl)c2nccc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
ACLY P53396 6/20 0.37
PDK2 Q15119 3/20 0.36
ALPL P05186 1/20 0.36
PDK1 Q15118 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TP53 P04637 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34

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
SCHEMBL9909214 0.88 NOTUM (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909217 0.88 KDM4E (0.38) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909234 0.87 NOTUM (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909152 0.81 HTT (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3901808 0.77 PDK2 (0.48) ACLYPDK2ALPLPDK1PDK3
SCHEMBL9907415 0.76 KDM4E (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907421 0.76 KDM4E (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL24987033 0.75 ALOX15 (0.48) PDE4APDE4CPDE4DSLC40A1
SCHEMBL9909176 0.73 GAA (0.38) KDM4EPDK2TP53NOTUM
SCHEMBL2470307 0.72 ALDH1A1 (0.48) KDM4EACLYPDK2PDK1PDK3

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 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.