SCHEMBL6328906

SCHEMBL6328906

NCCCNc1nc(-c2ccc(F)cc2F)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY5R Q15761 1/20 0.45
▸ APP P05067 2/20 0.44
▸ ADORA2A P29274 1/20 0.42
▸ SYK P43405 3/20 0.42
▸ ADORA1 P30542 1/20 0.41
▸ NTRK1 P04629 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL6336337 0.93 SCN9A (0.48) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6329201 0.82 GAA (0.46) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL5788700 0.74 TRIM58 (0.45) NTRK1
SCHEMBL5785783 0.74 ADORA2A (0.45) SCN9AGLAADORA2AADORA1
SCHEMBL11734758 0.74 CASP6 (0.62) KDM4EALDH1A1NPY1RNPY5RAPP
SCHEMBL5787957 0.72 ADORA2A (0.48) KDM4EALDH1A1GLAADORA2AADORA1
SCHEMBL5785239 0.71 CHEK2 (0.47) SCN9AALDH1A1NPY5RAPP
SCHEMBL6330986 0.71 ALDH1A1 (0.73) SCN9AKDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL6336714 0.70 KDM4E (0.71) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL4179234 0.69 MAPK14 (0.48) GLAADORA2AADORA1

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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 — — US claimed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 — — 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 SCN9A 801/4885KDM4E 1392/4885ALDH1A1 730/4885

“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.

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