SCHEMBL9909152

SCHEMBL9909152

COC(=O)c1ccc2nccc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 3/20 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
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NOTUM Q6P988 2/20 0.41
GAA P10253 2/20 0.41
DYRK1A Q13627 1/20 0.40
MET P08581 2/20 0.39
AXL P30530 2/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4853499 0.88 SLC2A1 (0.42) KDM4EALDH1A1LMNAMETAXL
SCHEMBL9907552 0.83 GAA (0.54) HTTALOX15KDM4EL3MBTL1ALDH1A1
SCHEMBL6301162 0.82 ALOX15 (0.57) HTTALOX15KDM4EKDM6BKDM5C
SCHEMBL9909214 0.81 NOTUM (0.39) ALOX15KDM4EKDM6BKDM5CKDM4C
SCHEMBL9909217 0.81 KDM4E (0.38) ALOX15KDM4EKDM6BKDM5CKDM4C
SCHEMBL9909234 0.81 NOTUM (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909204 0.81 KDM4E (0.40) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL632944 0.80 LMNA (0.52) KDM4ELMNAAXLMAPK1DDR2
SCHEMBL12367211 0.80 HTR1A (0.41) KDM4EALDH1A1MAPTSLC22A12
SCHEMBL9909201 0.79 PAX8 (0.43) HTTALOX15KDM4EL3MBTL1ALDH1A1

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 HTT 970/4885ALOX15 1101/4885KDM4E 1474/4885

“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.