SCHEMBL4289462

SCHEMBL4289462

O=C(O)N1CCN(C(=O)c2ncn([C@@H]3CCCC[C@@]3(O)CC3CC3)c2-c2ccccc2)[C@H](CS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
USP19 O94966 2/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL13705317 0.90 BCHE (0.34)
SCHEMBL4291366 0.90 NPC1 (0.32) NPC1RAB9AUSP19CA1CA2
SCHEMBL4285357 0.89 CA1 (0.36) CA1CA2CA4CA9
SCHEMBL4292967 0.89 CA1 (0.36) CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4281790 0.88 CA1 (0.34) NPC1RAB9AUSP19CA1CA2
SCHEMBL13705385 0.87 CA1 (0.34) NPC1RAB9AUSP19CA1CA2
SCHEMBL4288991 0.87 USP19 (0.31) USP19
SCHEMBL13705297 0.83 APLNR (0.34)
SCHEMBL4285403 0.81 USP19 (0.33) USP19CA1CA2CA4CA9
SCHEMBL4285594 0.81 CA1 (0.37) CA1CA2CA4CA9

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-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

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 NPC1 1165/4885RAB9A 1247/4885USP19 1993/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT NPC1 1165/4885RAB9A 1247/4885USP19 1993/4885

“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.