SCHEMBL5484403

SCHEMBL5484403

NC(=O)Nc1[c]nccc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
NR3C2 P08235 12/20 0.37
KIF11 P52732 3/20 0.34
PEPD P12955 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 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
SCHEMBL5484141 0.82 ADORA3 (0.37) ALDH1A1HSD17B10CYP3A4
SCHEMBL9450013 0.79 KIF11 (0.37) ALDH1A1NR3C2KIF11PEPDCYP3A4
SCHEMBL5480936 0.79 NPC1 (0.40) ALDH1A1NR3C2KIF11PEPDCYP3A4
SCHEMBL5476614 0.78 HTT (0.44)
SCHEMBL5484407 0.75 ALDH1A1 (0.40) ALDH1A1NR3C2KIF11PEPDHSD17B10
SCHEMBL15414817 0.72 DGAT1 (0.32)
SCHEMBL2067231 0.71
SCHEMBL5479979 0.69 ALDH1A1 (0.41) ALDH1A1NR3C2KIF11PEPDHSD17B10
SCHEMBL5480939 0.68 NPC1 (0.40) ALDH1A1NR3C2PEPDCYP3A4NPC1
SCHEMBL2068054 0.67 F2RL1 (0.31)

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 620/4885NR3C2 244/4885KIF11 2177/4885

“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.