SCHEMBL7567678

SCHEMBL7567678

CC(C)N(C(=N)c1nccnc1-c1ccc(N)cc1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.30
▸ KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL7571240 0.83 PDE3B (0.34) PDE3BPDE3A
Hydrochloric Acid SCHEMBL7566886 0.82 PDE3B (0.33) PDE3BPDE3A
SCHEMBL7567323 0.79 LMNA (0.33) PDE3BPDE3A
SCHEMBL7567254 0.76 PLAU (0.42) PDE3BPDE3APDE10A
SCHEMBL7565847 0.75 MAPT (0.37) —
Hydrochloric Acid SCHEMBL7565620 0.74 F2 (0.44) PDE3BPDE3A
Hydrochloric Acid SCHEMBL7566216 0.74 F2 (0.44) PDE3BPDE3A
SCHEMBL10726634 0.69 ALDH1A1 (0.53) PDE3BPDE3APDE10A
SCHEMBL11218403 0.64 ALDH1A1 (0.42) PDE3BPDE3APDE10A
SCHEMBL18448354 0.64 ACHE (0.56) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492502-B2 REDUCTION OF A QUATERNARY AMMONIUM CONTAINING NITRO COMPOUND, TO FORM AN INTERMEDIATE, OXIDIZING TO GIVE AZO COMPOUND; USEFUL FOR DYEING HAIR L'OREAL, S.A. (FR) 2002-12-10 — — US claimed
US-20020165368-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes L'OREAL S.A. 2002-11-07 — — US claimed
US-20010001332-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes L'OREAL S.A. 2001-05-24 — — US claimed
EP-0918053-B1 Azo compounds, their use for dyeing, compositions containing them and dyeing processes OREAL (FR) 2000-05-10 — — EP claimed
US-6492502-B2 REDUCTION OF A QUATERNARY AMMONIUM CONTAINING NITRO COMPOUND, TO FORM AN INTERMEDIATE, OXIDIZING TO GIVE AZO COMPOUND; USEFUL FOR DYEING HAIR L'OREAL, S.A. (FR) 2002-12-10 — — US disclosed
US-20020165368-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes L'OREAL S.A. 2002-11-07 — — 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-20010001332-A1 Novel azo compounds, use in dyeing, compositions containing them and dyeing processes KRT18, MKI67, KDM5A PDE3B 3611/4885PDE3A 2773/4885PDE10A 2591/4885

“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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