SCHEMBL4283233

SCHEMBL4283233

O=C(O)N1CCN[C@H](Cn2ccnc2-c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
PLAA Q9Y263 1/20 0.41
ALPG P10696 1/20 0.40
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
CA9 Q16790 3/20 0.37
ADRB1 P08588 2/20 0.36
PARP1 P09874 1/20 0.36
REN P00797 6/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL4283230 1.00 ESR1 (0.47) ESR1PLAAALPGCA1CA2
Hydrochloric Acid SCHEMBL4289643 0.88 ESR1 (0.50) ESR1PLAAALPGCA1CA2
SCHEMBL8106348 0.86 USP30 (0.45) ESR1
SCHEMBL4286302 0.77 CYP11B1 (0.42) CA1CA2CA4CA9ADRB1
SCHEMBL4286305 0.77 CYP11B1 (0.42) CA1CA2CA4CA9ADRB1
SCHEMBL4295876 0.76 EGLN3 (0.46)
SCHEMBL4295875 0.76 EGLN3 (0.46)
SCHEMBL4294538 0.74 RAB9A (0.49) CA1CA2CA4CA9
SCHEMBL4292117 0.72 ESR1 (0.52) ESR1PLAAALPGCA1CA2
SCHEMBL4290754 0.72 CA1 (0.34) CA1CA2CA4CA9ADRB1

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 ESR1 4312/4885PLAA 3270/4885ALPG 2414/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ESR1 4312/4885PLAA 3270/4885ALPG 2414/4885

“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.