SCHEMBL5114622

SCHEMBL5114622

CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CES1 P23141 1/20 0.50
MAPT P10636 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
GSK3B P49841 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL1429530 0.87 MAPK1 (0.51) MAPK1ALDH1A1CRHBPCRHR2CES1
SCHEMBL27884533 0.87 ALDH1A1 (0.57) MAPK1ALDH1A1CRHBPCRHR2CES1
SCHEMBL11441268 0.86 ALDH1A1 (0.50) MAPK1ALDH1A1CRHBPCRHR2CES1
SCHEMBL11061489 0.85 CRHBP (0.60) MAPK1ALDH1A1CRHBPCRHR2CES1
SCHEMBL3936910 0.84 BCHE (0.50) MAPK1ALDH1A1CRHBPCRHR2CES1
SCHEMBL380461 0.83 CRHBP (0.55) MAPK1ALDH1A1CRHBPCRHR2CES1
SCHEMBL3095592 0.82 LMNA (0.49) MAPK1ALDH1A1CRHBPCRHR2MAPT
SCHEMBL9184295 0.81 TMEM97 (0.64) MAPK1ALDH1A1MAPTHDAC3HDAC1
SCHEMBL8333435 0.81 CRHBP (0.55) MAPK1ALDH1A1CRHBPCRHR2CES1
SCHEMBL14776737 0.79 CRHBP (0.57) MAPK1ALDH1A1CRHBPCRHR2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819113-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-21 EP claimed
WO-1996031462-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1996-10-10 WO claimed
CN-101287736-A Pyrrolopyrimidine derivatives as SYK inhibitors GLAXO GROUP LTD (GB) 2008-10-15 CN disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 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-20080004295-A1 NOVEL COMPOUNDS SYK, BTK, LCK MAPK1 297/4885ALDH1A1 2075/4885CRHBP 3774/4885

“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.