SCHEMBL4286189

SCHEMBL4286189

COC(=O)c1sccc1OCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 7/20 0.37
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4282697 0.80 KMT2A (0.48) KMT2AMEN1CYP1A2ALDH1A1HPGD
SCHEMBL4289809 0.79 MAPT (0.42) KMT2AALDH1A1HPGDCA1CA2
SCHEMBL4293809 0.79 REN (0.39) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL4287310 0.78 TTR (0.37) KMT2AMEN1CYP1A2ALDH1A1CA1
SCHEMBL4284051 0.78 CA1 (0.34) CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4289621 0.78 LMNA (0.48) KMT2AMEN1ALDH1A1NPSR1KDM4E
Hydrochloric Acid SCHEMBL4287144 0.77 HPGD (0.47) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4285220 0.77 USP7 (0.35) CA1CA2CA4CA9
SCHEMBL4281738 0.76 REN (0.37) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4752327 0.76 REN (0.37) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2

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 1049/4885MEN1 1254/4885CYP1A2 89/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885MEN1 1254/4885CYP1A2 89/4885

“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.