SCHEMBL4289809

SCHEMBL4289809

COC(=O)c1ccc(OC)c(OCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 3/20 0.39
SMPD1 P17405 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4287310 0.89 TTR (0.37) MAPTKMT2AXIAPBIRC2CA1
Hydrochloric Acid SCHEMBL4291908 0.87 HPGD (0.44) MAPTHPGDHSD17B10POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4294403 0.86 KMT2A (0.46) HPGDHSD17B10KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4290259 0.85 HTR2C (0.40) SMN1; SMN2KMT2A
SCHEMBL4292712 0.83 DRD3 (0.46) HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL4750156 0.83 DRD3 (0.46) HPGDKMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4289621 0.83 LMNA (0.48) MAPTPOLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL4284770 0.83 ALDH1A1 (0.41) MAPTPOLBKMT2ARAB9AALDH1A1
SCHEMBL4292801 0.82 KDM4E (0.40) HPGDHSD17B10KMT2AALDH1A1
SCHEMBL4281811 0.82 PTGES (0.42) MAPTHPGDHSD17B10SMN1; SMN2KMT2A

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 MAPT 3142/4885HPGD 106/4885HSD17B10 1017/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPT 3142/4885HPGD 106/4885HSD17B10 1017/4885

“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.