SCHEMBL3573175

SCHEMBL3573175

NC(=O)c1cccnc1CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.57
RPS6KB1 P23443 4/20 0.54
AURKA O14965 3/20 0.54
AURKB Q96GD4 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.50
MAOB P27338 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
GPR52 Q9Y2T5 5/20 0.48
MAPK8 P45983 1/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL3576444 0.82 GPR52 (0.50) NR3C2RPS6KB1AURKAAURKBSIRT2
SCHEMBL1721830 0.81 ALDH1A1 (0.52) NR3C2RPS6KB1AURKAAURKBTAAR1
SCHEMBL2129712 0.80 KDM4E (0.57) NR3C2RPS6KB1SIRT2MEN1ALDH1A1
SCHEMBL3233027 0.79 SIRT2 (0.54) NR3C2RPS6KB1AURKAAURKBSIRT2
SCHEMBL2749287 0.77 ALDH1A1 (0.55) NR3C2RPS6KB1AURKAAURKBGPR52
SCHEMBL253705 0.75 AURKA (0.47) NR3C2RPS6KB1AURKAAURKBMAOB
SCHEMBL30450224 0.75 SYK (0.49) SIRT2GPR52MAPK8LMNAHPGD
SCHEMBL5178386 0.74 PARP1 (0.58) RPS6KB1AURKAAURKBMEN1ALDH1A1
SCHEMBL1971769 0.73 SYK (0.55) MEN1ALDH1A1LMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL6171278 0.73 MAPK8 (0.52) NR3C2RPS6KB1AURKAAURKBMAOB

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC NR3C2 2898/4885RPS6KB1 467/4885AURKA 63/4885

“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.