SCHEMBL9909243

SCHEMBL9909243

COC(=O)c1ccc2cc(C)nc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 6/20 0.41
LCK P06239 1/20 0.41
KMT2A Q03164 3/20 0.41
NOTUM Q6P988 2/20 0.41
MITF O75030 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SDHB P21912 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
SCHEMBL9108406 0.83 KDM4E (0.42) GAAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL9909262 0.81 NOTUM (0.39) GAAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL9907552 0.81 GAA (0.54) GAAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL10030428 0.78 NOTUM (0.48) GAAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3316267 0.77 STS (0.49) ALDH1A1MAPTL3MBTL1KDM4ELCK
SCHEMBL10211629 0.76 TDP1 (0.46) GAAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL4893119 0.76 NOTUM (0.41) GAAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL25311830 0.76 KDM4E (0.40) GAAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL16502437 0.76 NOTUM (0.42) GAAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL2813446 0.76 NQO2 (0.44) GAAALDH1A1L3MBTL1TP53KDM4E

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 GAA 1699/4885ALDH1A1 1799/4885MAPT 342/4885

“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.