SCHEMBL4824378

SCHEMBL4824378

COc1ccc(-c2cc(N)c3cc(N)ccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
ACACA Q13085 1/20 0.54
HTT P42858 1/20 0.54
SLC2A1 P11166 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
DYRK1A Q13627 1/20 0.51
PLA2G2A P14555 3/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
SYK P43405 1/20 0.49
EPRS1 P07814 1/20 0.49
ACP1 P24666 1/20 0.48
ACHE P22303 2/20 0.47

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
SCHEMBL4817642 0.85 KDM4E (0.65) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL28506567 0.84 KDM4E (0.71) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6498067 0.84 KDM4E (0.71) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL5349212 0.83 ACHE (0.51) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL29874770 0.82 KDM4E (0.69) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL29874996 0.82 KDM4E (0.69) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL29874842 0.82 KDM4E (0.69) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL4824379 0.81 ACHE (0.71) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL4824891 0.80 ACHE (0.51) KDM4EALDH1A1MAPTHPGDSLC2A1
SCHEMBL4824929 0.80 EPRS1 (0.68) KDM4EALDH1A1LMNAMAPTHPGD

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-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 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-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G KDM4E 4410/4885ALDH1A1 3919/4885LMNA 2009/4885

“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.