SCHEMBL6497127

SCHEMBL6497127

N#Cc1cccc(N2CCCCC2Nc2ncccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
GRM5 P41594 11/20 0.39
TP53 P04637 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALOX5 P09917 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
SCHEMBL7049831 0.86 KDM4E (0.39) KDM4EPDE4B
SCHEMBL7472098 0.85 KDM4E (0.41) KDM4EPDE4B
SCHEMBL6497602 0.78 MEN1 (0.49) KDM4EALDH1A1MAPTHTT
SCHEMBL6497130 0.75 NOTUM (0.48) KDM4EDRD2DRD3PDE4BPDE4D
SCHEMBL6498980 0.75 NOTUM (0.48) KDM4EDRD2DRD3PDE4BPDE4D
SCHEMBL6496695 0.75 DRD2 (0.49) DRD2DRD3NOTUMALOX5
SCHEMBL6504244 0.71 VNN1 (0.53) DRD2DRD3PDE4DGRM5TP53
SCHEMBL7053331 0.71 HCAR3 (0.40) KDM4EALDH1A1MAPTTSHRDRD2
SCHEMBL7051584 0.70 KDM4E (0.37) KDM4EMAPT
SCHEMBL7463190 0.70 GCK (0.40) ALDH1A1MAPTTSHRPDE4B

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 KDM4E 945/4885ALDH1A1 1967/4885MAPT 4805/4885

“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.