SCHEMBL5862299

SCHEMBL5862299

O=C(O)N1CCC(n2ccc(OCc3ccccc3)c(Br)c2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.52
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL6507357 0.87 YAP1 (0.46) MAPK14SMN1; SMN2
SCHEMBL16669951 0.87 MAPK14 (0.52) MAPK14SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16670561 0.84 MAPK14 (0.55) MAPK14SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27621121 0.84 MAPK14 (0.49) MAPK14NPC1RAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL4473076 0.82 MAPK14 (0.54) MAPK14
SCHEMBL5264974 0.81 SMN1; SMN2 (0.39) MAPK14SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16670343 0.77 MAPK14 (0.50) MAPK14ALDH1A1
SCHEMBL16669923 0.74 MAPK14 (0.46) MAPK14SMN1; SMN2
SCHEMBL1037340 0.72 MAPK14 (0.70) MAPK14
SCHEMBL5861929 0.71 MAPK14 (0.73) MAPK14KMT2A

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-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885SMN1; SMN2 1433/4885NPC1 2619/4885

“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.