SCHEMBL6690717

SCHEMBL6690717

NC(=O)c1ccc(N2CCCN(C(c3ccncc3)c3ccc(F)cc3)CC2)c(NC(=O)Nc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CDK4 P11802 1/20 0.40
CDK9 P50750 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY2R P49146 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
KCNQ2 O43526 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL6688894 0.97 MAPT (0.47) MAPTKDM4EHPGDLMNATP53
SCHEMBL6689954 0.95 MAPT (0.49) MAPTKDM4EHPGDLMNATP53
SCHEMBL29968689 0.92 MAPT (0.52) MAPTKDM4EHPGDLMNATP53
SCHEMBL6687497 0.92 MAPT (0.52) MAPTKDM4EHPGDLMNATP53
SCHEMBL29968283 0.88 MAPT (0.49) MAPTKDM4EHPGDLMNATP53
SCHEMBL6687417 0.88 MAPT (0.49) MAPTKDM4EHPGDLMNATP53
SCHEMBL6697431 0.86 NPC1 (0.42) KDM4ETP53CDK4CDK9ALDH1A1
SCHEMBL29968131 0.85 MAPT (0.51) MAPTKDM4EHPGDLMNATP53
SCHEMBL6686127 0.85 MAPT (0.51) MAPTKDM4EHPGDLMNATP53
SCHEMBL29968844 0.83 ALDH1A1 (0.44) MAPTKDM4EHPGDLMNAALDH1A1

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-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-25 US claimed
WO-2004087685-A2 PHOSPHOLIPASE C INHIBITORS FOR USE IN TREATING INFLAMMATORY DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-14 WO claimed

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-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders PLA2G4C, PLA2G4B, PLA2G5 MAPT 4701/4885KDM4E 3920/4885HPGD 1196/4885

“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.