SCHEMBL6793388

SCHEMBL6793388

CCOC(=O)C1C2=C(NN1C1CCN(C(=O)OCc3ccccc3)CC1)C1=CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)NC1CC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CCR8 P51685 1/20 0.34
HTR2C P28335 1/20 0.34
GRIN2B Q13224 2/20 0.34
LMNA P02545 1/20 0.34
FAAH O00519 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6793395 0.80 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6794409 0.76 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6789502 0.73 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL630697 0.67 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1507334 0.66 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL25030784 0.66 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL21551094 0.65 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL21551093 0.65 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29890793 0.65 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL26077279 0.65 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 SMN1; SMN2 4333/4885NPC1 4242/4885RAB9A 2148/4885

“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.