SCHEMBL4288941

SCHEMBL4288941

Cc1nc2ccc(OCC[C@@H]3CN(C(=O)O)CCN3C(=O)O)c(C)c2o1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
MTNR1A P48039 7/20 0.33
MTNR1B P49286 7/20 0.33
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4286181 0.90 MTNR1A (0.34) KMT2AFNTAFNTBMTNR1AMTNR1B
SCHEMBL4285366 0.82 HSP90AA1 (0.38) KMT2ASMN1; SMN2MEN1KDM4EALDH1A1
SCHEMBL4289498 0.81 TLR7 (0.39)
SCHEMBL8118670 0.80 PARP1 (0.49) KMT2AMEN1
SCHEMBL4282219 0.79 RAB9A (0.38) SMN1; SMN2KDM4E
SCHEMBL4287420 0.79 S1PR4 (0.38) KMT2AFNTAFNTBMEN1KDM4E
SCHEMBL4285550 0.77 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1
SCHEMBL4297009 0.75 KDM4E (0.47) KMT2AMEN1KDM4EALDH1A1NPSR1
SCHEMBL4285755 0.74 KDM4E (0.51) KMT2ASMN1; SMN2MEN1KDM4EALDH1A1
SCHEMBL4284003 0.74 HCRTR1 (0.41) SMN1; SMN2KDM4EALDH1A1

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 1049/4885SMN1; SMN2 4811/4885FNTA 1157/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885SMN1; SMN2 4811/4885FNTA 1157/4885

“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.