SCHEMBL5484188

SCHEMBL5484188

CN(C)C(=O)Nc1ccc[c]c1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
APEX1 P27695 1/20 0.36

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
SCHEMBL5475470 0.81 ALDH1A1 (0.48) HTTALDH1A1TSHRHDAC1
SCHEMBL5472699 0.80 TSHR (0.46) HTTALDH1A1TSHRHDAC3HDAC1
SCHEMBL5479981 0.77 GAA (0.46) HTTALDH1A1TP53
SCHEMBL5484187 0.77 HTT (0.45) HTTTP53TSHRAPEX1
SCHEMBL7089269 0.76 ALDH1A1 (0.56) HTTALDH1A1TSHR
SCHEMBL30761772 0.76 ALDH1A1 (0.56) HTTALDH1A1TSHR
SCHEMBL23169175 0.75 HTT (0.64) HTTALDH1A1
SCHEMBL27814922 0.73 RAB9A (0.55) ALDH1A1TP53HDAC3HDAC1HDAC2
SCHEMBL3837851 0.72 MAPT (0.52) HTTALDH1A1TP53TSHR
SCHEMBL5476616 0.72 HTT (0.47) HTTALDH1A1TP53TSHRHDAC3

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 HTT 3162/4885ALDH1A1 620/4885TP53 1596/4885

“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.