SCHEMBL3571903

SCHEMBL3571903

Nc1ccc(NC(=O)C(F)(F)F)c2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.44
▸ KAT2B Q92831 1/20 0.44
▸ KAT8 Q9H7Z6 1/20 0.44
▸ AXL P30530 1/20 0.41
▸ TRPV1 Q8NER1 9/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ EGFR P00533 1/20 0.35

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
SCHEMBL3575125 0.79 MEN1 (0.46) TRPV1MAPTHTT
SCHEMBL3575166 0.76 TRPV1 (0.42) TRPV1JAK2TP53MAPTHTT
SCHEMBL18247413 0.75 POLB (0.41) JAK2TP53MAPTHTTKLK7
SCHEMBL4021056 0.75 EP300 (0.51) EP300KAT2BKAT8AXLMAPT
SCHEMBL23060423 0.71 GAA (0.57) TRPV1MAPT
SCHEMBL26674527 0.71 SIRT2 (0.43) JAK2TP53MAPTHTTKLK7
Trifluoroacetic Acid SCHEMBL30325420 0.71 KDM4C (0.40) JAK2TP53MAPTHTTKLK7
SCHEMBL18247656 0.71 MAPT (0.43) MAPT
SCHEMBL5894746 0.70 AXL (0.72) EP300KAT2BKAT8AXLMAPT
SCHEMBL5660868 0.68 AXL (0.50) EP300KAT2BKAT8AXLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 — — US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 — — US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 — — 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-20060270693-A1 Ether derivative UROD, IL5, IL17A EP300 1839/4885KAT2B 2705/4885KAT8 1380/4885

“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.

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