SCHEMBL193553

SCHEMBL193553

N#CC1(Nc2cccnc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
PDE4A P27815 8/20 0.51
GAA P10253 2/20 0.50
JAK3 P52333 2/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.39
PDE7A Q13946 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL12456432 0.95 CYP1A2 (0.51) CYP1A2PDE4AGAAJAK3LMNA
SCHEMBL2534556 0.80 CYP1A2 (0.70) CYP1A2PDE4AGAAALDH1A1PDE7A
SCHEMBL14916613 0.80 CYP1A2 (0.65) CYP1A2PDE4AGAAJAK3ALDH1A1
SCHEMBL2538688 0.78 CYP1A2 (0.72) CYP1A2PDE4AGAAJAK3ALDH1A1
SCHEMBL193789 0.77 CYP1A2 (0.57) CYP1A2PDE4AGAAALDH1A1PDE7A
SCHEMBL12456042 0.76 CYP19A1 (0.52) CYP1A2GAAJAK3LMNAALDH1A1
SCHEMBL20187178 0.76 SMN1; SMN2 (0.59) SMN1; SMN2
SCHEMBL12456081 0.74 CYP1A2 (0.67) CYP1A2PDE4AGAAJAK3ALDH1A1
SCHEMBL20340417 0.72 CYP1A2 (0.54) CYP1A2PDE4AGAALMNAPDE7A
SCHEMBL16494803 0.71 FPR2 (0.49) CYP1A2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445523-B2 Dioxo-imidazolidine derivatives, which inhibit the enzyme SOAT-1, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-21 US disclosed
EP-2401266-B1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-11-28 EP disclosed
US-20120052096-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-01 US disclosed
EP-2401266-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097468-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 WO 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-20120052096-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM SOAT1, SOAT2, ODC1 CYP1A2 412/4885PDE4A 709/4885GAA 49/4885

“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.