SCHEMBL9909176

SCHEMBL9909176

COC(=O)c1cc(C)c2nc(C)cc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.38
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 3/20 0.38
NOTUM Q6P988 2/20 0.38
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MITF O75030 1/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
SDHB P21912 1/20 0.34
PDK2 Q15119 1/20 0.34
PPARA Q07869 1/20 0.32

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 0.83 NOTUM (0.39) GAAKDM4EALDH1A1NOTUMMAPK1
SCHEMBL9907552 0.82 GAA (0.54) GAAKDM4EALDH1A1NOTUMMAPT
SCHEMBL14448997 0.77 NOTUM (0.47) GAAKDM4EALDH1A1NOTUMMAPT
SCHEMBL14616750 0.77 NOTUM (0.53) GAAKDM4EALDH1A1NOTUMMAPT
SCHEMBL9907529 0.77 KDM4E (0.46) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL1187812 0.76 PPARA (0.46) GAAKDM4EALDH1A1NOTUMTDP1
SCHEMBL9909217 0.74 KDM4E (0.38) GAAKDM4EALDH1A1NOTUMTDP1
SCHEMBL27185442 0.73 TSHR (0.41) GAAKDM4EALDH1A1NOTUMHPGD
SCHEMBL17506404 0.73 TP53 (0.44) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL9909243 0.73 GAA (0.46) GAAKDM4EALDH1A1NOTUMMAPT

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 1699/4885KDM4E 1474/4885ALDH1A1 1799/4885

“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.