Sugi Predict

Sugi Predict / Compounds / SCHEMBL4286141

SCHEMBL4286141

SCHEMBL4286141

O=C(c1ncn([C@H]2CCCC[C@H]2O)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1/C=C/C1CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ SLC18A3 Q16572 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33

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
SCHEMBL4286142 1.00 HDAC8 (0.36) HDAC8CYP2D6SLC18A3ALDH1A1CYP3A4
SCHEMBL4296362 0.88 SLC18A3 (0.34) CYP2D6SLC18A3ALDH1A1CYP3A4CYP2C9
SCHEMBL4296363 0.88 SLC18A3 (0.34) CYP2D6SLC18A3ALDH1A1CYP3A4CYP2C9
SCHEMBL13705146 0.80 CA1 (0.37) CYP2D6SLC18A3ALDH1A1CYP3A4CYP2C9
SCHEMBL4284825 0.80 CA1 (0.37) CYP2D6SLC18A3ALDH1A1CYP3A4CYP2C9
SCHEMBL4284827 0.80 CA1 (0.37) CYP2D6SLC18A3ALDH1A1CYP3A4CYP2C9
SCHEMBL4284830 0.80 CA1 (0.37) CYP2D6SLC18A3ALDH1A1CYP3A4CYP2C9
SCHEMBL4284624 0.80 CA1 (0.41) CYP2D6SLC18A3KCNH2DRD2DRD4
SCHEMBL4287934 0.76 CA1 (0.49) CYP2D6CYP3A4CYP2C9
SCHEMBL4292920 0.75 CA1 (0.41) SLC18A3

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HDAC8 168/4885CYP2D6 173/4885SLC18A3 2243/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HDAC8 168/4885CYP2D6 173/4885SLC18A3 2243/4885

“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.