SCHEMBL193469

SCHEMBL193469

COc1ccc(NC2(C#N)CCCCC2)cn1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 2/20 0.45
PDE4A P27815 7/20 0.45
PDE7A Q13946 2/20 0.45
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
PABPC1 P11940 2/20 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
SCHEMBL21231854 0.96 GAA (0.57) GAACYP1A2ALDH1A1PDE4APDE7A
SCHEMBL193789 0.81 CYP1A2 (0.57) GAACYP1A2ALDH1A1PDE4APDE7A
SCHEMBL20340464 0.80 GAA (0.58) GAACYP1A2PDE4APDE7A
SCHEMBL18961812 0.78 GAA (1.00) GAACYP1A2ALDH1A1PDE4APDE7A
SCHEMBL30822626 0.74 CYP1A2 (0.42) GAACYP1A2
SCHEMBL24411044 0.74 CYP1A2 (0.54) GAACYP1A2PDE4APDE7A
SCHEMBL19127721 0.74 CYP1A2 (0.54) GAACYP1A2PDE4APDE7A
Hydrochloric Acid SCHEMBL29164451 0.73 AR (0.41) GAACYP1A2
SCHEMBL15647965 0.72 CYP1A2 (0.71) GAACYP1A2ALDH1A1PDE4APDE7A
SCHEMBL185651 0.72 CYP1A2 (0.71) GAACYP1A2ALDH1A1PDE4APDE7A

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 GAA 49/4885CYP1A2 412/4885ALDH1A1 30/4885

“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.