SCHEMBL9909197

SCHEMBL9909197

CCOC(=O)c1ccc2nc(C)cc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 1/20 0.54
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL9909163 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL9907552 0.88 GAA (0.54) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL9105440 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL9909278 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL13537289 0.80 NPC1 (0.49) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL6883943 0.79 NPC1 (0.48) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL227343 0.78 RAB9A (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL31428597 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL13209990 0.78 KDM4E (0.41) ALDH1A1KDM4EHSD17B10CYP1A2CYP2C19
SCHEMBL16621161 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10TP53

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 ALDH1A1 1799/4885KDM4E 1474/4885HPGD 1267/4885

“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.