SCHEMBL5845501

SCHEMBL5845501

Nc1ccccc1CCN1CCOCC1.O=[N+]([O-])c1ccccc1CCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 3/20 0.45
PKM P14618 2/20 0.45
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL3723081 0.92 SIGMAR1 (0.64) SIGMAR1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL3718831 0.86 SIGMAR1 (0.60) SIGMAR1MEN1KMT2APOLB
SCHEMBL5845492 0.86 ALDH1A1 (0.44) SIGMAR1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6526231 0.83 POLB (0.47) SIGMAR1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL9008678 0.79 ACHE (0.65) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL10857838 0.76 SIGMAR1 (0.69) SIGMAR1MEN1KMT2APOLBMAPT
SCHEMBL2568094 0.75 MEN1 (0.56) SIGMAR1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6235061 0.75 POLB (0.64) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL8568229 0.75 SIGMAR1 (0.57) SIGMAR1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL5063513 0.75 POLB (0.64) CYP1A2CYP2D6CYP2C19MEN1KMT2A

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-7151118-B2 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors GLAXO GROUP LIMITED (GB) 2006-12-19 US disclosed
US-20050020540-A1 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-01-27 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-20050020540-A1 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors MAPK1, MAPKAPK2, MAP3K1 SIGMAR1 1003/4885CYP1A2 540/4885CYP2D6 581/4885

“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.