SCHEMBL4283323

SCHEMBL4283323

CCc1nc2cc(NCC[C@@H]3CNCCN3C(=O)c3ncn([C@@H]4CCCC[C@@]4(O)COC)c3-c3ccccc3)ccc2o1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 8/20 0.35
NPC1 O15118 7/20 0.35
USP19 O94966 1/20 0.33
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL4291212 0.95 MEN1 (0.37) MEN1KMT2ARAB9ANPC1USP19
SCHEMBL4283378 0.93 USP19 (0.33) MEN1KMT2ARAB9ANPC1USP19
SCHEMBL4284904 0.93 NPC1 (0.33) MEN1KMT2ARAB9ANPC1USP19
SCHEMBL4285006 0.90 MEN1 (0.36) MEN1KMT2ARAB9ANPC1USP19
SCHEMBL4288109 0.89 USP19 (0.33) RAB9ANPC1USP19HCRTR1HCRTR2
SCHEMBL4281275 0.87 USP19 (0.37) USP19HCRTR1HCRTR2
SCHEMBL4284952 0.87 NPC1 (0.37) MEN1KMT2ARAB9ANPC1USP19
SCHEMBL4285549 0.86 HCRTR1 (0.35) USP19HCRTR1HCRTR2
SCHEMBL4289782 0.86 USP19 (0.35) USP19HCRTR1HCRTR2
SCHEMBL4286585 0.86 HCRTR1 (0.37) USP19HCRTR1HCRTR2

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 4 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 claimed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US claimed
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 MEN1 1254/4885KMT2A 1049/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MEN1 1254/4885KMT2A 1049/4885RAB9A 1247/4885

“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.