SCHEMBL5484407

SCHEMBL5484407

NC(=O)Nc1ccn[c]c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KIF11 P52732 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
NR3C2 P08235 4/20 0.34
PEPD P12955 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5480939 0.79 NPC1 (0.40) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL5476616 0.78 HTT (0.47) ALDH1A1HTTTP53
SCHEMBL5484403 0.75 ALDH1A1 (0.40) ALDH1A1KIF11NR3C2PEPDHSD17B10
SCHEMBL15414819 0.72 SIRT3 (0.36) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL2067230 0.71
SCHEMBL5479981 0.69 GAA (0.46) ALDH1A1KIF11GAAKDM4EMAPT
SCHEMBL17655430 0.69 RAB9A (0.47) ALDH1A1KIF11KDM4EMAPTHTT
SCHEMBL5480936 0.68 NPC1 (0.40) ALDH1A1KIF11GAAKDM4EMAPT
SCHEMBL9450013 0.68 KIF11 (0.37) ALDH1A1KIF11MAPTNR3C2PEPD
Hydrochloric Acid SCHEMBL8393338 0.67 RAB9A (0.69) ALDH1A1GAAKDM4EMAPTHTT

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-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 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 (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-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD ALDH1A1 620/4885KIF11 2177/4885GAA 842/4885

“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.