SCHEMBL4285089

SCHEMBL4285089

O=C(c1ncn([C@@H]2CCCC[C@@]2(O)CC2CC2)c1-c1ccccc1)N1CCNC[C@H]1CCn1nnc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
RAB9A P51151 1/20 0.32
USP19 O94966 4/20 0.31

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
SCHEMBL4293884 0.93 CDK9 (0.32) ALDH1A1EGLN3USP19
SCHEMBL4284651 0.91 USP19 (0.35) ALDH1A1EGLN3RAB9AUSP19
SCHEMBL4287236 0.89 ADRA2A (0.39) EGLN3USP19
SCHEMBL4281288 0.85 USP19 (0.35) USP19
SCHEMBL13705371 0.84 CA1 (0.41) USP19
SCHEMBL13705365 0.84 CA1 (0.41) USP19
SCHEMBL4286954 0.84 USP19 (0.36) ALDH1A1USP19
Hydrochloric Acid SCHEMBL4285141 0.84 CA1 (0.41) USP19
Hydrochloric Acid SCHEMBL4291097 0.84 CA1 (0.41) USP19
SCHEMBL4285427 0.83 USP19 (0.31) USP19

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 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
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 ALDH1A1 388/4885EGLN3 1069/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885EGLN3 1069/4885RAB9A 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.