SCHEMBL4293435

SCHEMBL4293435

CCOC(=O)c1cc(C)n(CC[C@@H]2CN(C(=O)O)CCN2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
FAAH O00519 5/20 0.33
REN P00797 2/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
ADORA3 P0DMS8 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
SCHEMBL4285094 0.84 SMN1; SMN2 (0.35) RENCA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4281770 0.83 KDM4E (0.44) KMT2A
SCHEMBL4752939 0.81 KMT2A (0.37) KMT2AFAAHGAAADORA3
Hydrochloric Acid SCHEMBL4292918 0.81 CYP1A2 (0.33) RENCA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4281746 0.81 REN (0.33) KMT2ARENCA1CA2CA4
SCHEMBL4288567 0.80 FAAH (0.34) KMT2AFAAHGAA
Hydrochloric Acid SCHEMBL4281042 0.80 SMN1; SMN2 (0.35) FAAHREN
Hydrochloric Acid SCHEMBL4284926 0.80 GRN (0.36) KMT2ARENCA1CA2CA4
SCHEMBL4297909 0.80 ALDH1A1 (0.47) KMT2ARENCA1CA2CA4
Hydrochloric Acid SCHEMBL4288220 0.79 ALDH1A1 (0.46) KMT2ARENCA1CA2CA4

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 KMT2A 1049/4885FAAH 2632/4885REN 1/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885FAAH 2632/4885REN 1/4885

“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.