SCHEMBL5488909

SCHEMBL5488909

CC(=O)Nc1c(F)c(F)c(C)c(F)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.35
KMT2A Q03164 4/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GALR2 O43603 1/20 0.32
MITF O75030 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
CCR6 P51684 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL8112444 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL22262547 0.83 L3MBTL1 (0.33) ALDH1A1SMN1; SMN2HPGD
SCHEMBL9725076 0.82 MAPT (0.42) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL7035124 0.80 SMN1; SMN2 (0.44) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL20560656 0.79
SCHEMBL7030699 0.78 MAPT (0.36) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL31569422 0.78 MAPT (0.43) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL16451266 0.76 MEN1 (0.40) ALDH1A1GAASMN1; SMN2KMT2AHTT
SCHEMBL5866615 0.76 MAPT (0.47) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL21684641 0.75 MAPT (0.44) ALDH1A1KDM4EMAPTGAASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275995-A1 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED 2007-11-29 US disclosed
US-7268145-B2 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED (JP) 2007-09-11 US disclosed
US-20060040976-A1 Thiobenzimidazole derivatives TEIJIN LIMITED 2006-02-23 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
EP-1097926-A1 THIOBENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2001-05-09 EP 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 (3 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-20070275995-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 ALDH1A1 466/4885KDM4E 3359/4885MAPT 4292/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 ALDH1A1 466/4885KDM4E 3359/4885MAPT 4292/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 ALDH1A1 264/4885KDM4E 2357/4885MAPT 4269/4885

“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.