SCHEMBL4298317

SCHEMBL4298317

CCOC(=O)c1ccn(CC[C@@H]2CN(C(=O)O)CCN2)c1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
REN P00797 2/20 0.33
TSHR P16473 3/20 0.33
PARP1 P09874 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32

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
Hydrochloric Acid SCHEMBL4292178 0.99 CA1 (0.34) CA1CA2CA4CA9REN
SCHEMBL4292720 0.80 GAA (0.34) TSHRALDH1A1KDM4EKMT2ATDP1
Hydrochloric Acid SCHEMBL4281746 0.76 REN (0.33) CA1CA2CA4CA9REN
SCHEMBL4293435 0.74 KMT2A (0.35) CA1CA2CA4CA9REN
SCHEMBL4285094 0.74 SMN1; SMN2 (0.35) CA1CA2CA4CA9REN
SCHEMBL4297909 0.74 ALDH1A1 (0.47) CA1CA2CA4CA9REN
SCHEMBL4285140 0.74 LMNA (0.35) RENALDH1A1KDM4EKMT2AMAPT
Hydrochloric Acid SCHEMBL4284239 0.73 L3MBTL1 (0.38) CA1CA2CA4CA9REN
Hydrochloric Acid SCHEMBL4292918 0.73 CYP1A2 (0.33) CA1CA2CA4CA9REN
Hydrochloric Acid SCHEMBL4288220 0.73 ALDH1A1 (0.46) CA1CA2CA4CA9REN

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.