SCHEMBL13705305

SCHEMBL13705305

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2CCNc2ccc3nc(C)sc3c2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HCRTR1 O43613 8/20 0.33
HCRTR2 O43614 7/20 0.33
P2RX3 P56373 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LCK P06239 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PDE4B Q07343 1/20 0.31
ENPP2 Q13822 1/20 0.30

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
SCHEMBL13705304 0.96 HCRTR1 (0.33) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4287523 0.93 MAPT (0.35) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4281526 0.89 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL13705303 0.87 NPSR1 (0.35) ALDH1A1PDE4B
SCHEMBL13705298 0.87 PDE4B (0.32) MAPTSMN1; SMN2RAB9ANPC1LCK
SCHEMBL4291716 0.87 HCRTR1 (0.35) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13705302 0.84 PDE4B (0.36) ALDH1A1MEN1KMT2ATSHRLCK
SCHEMBL8118401 0.82
SCHEMBL4285549 0.82 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL4296784 0.82 HCRTR1 (0.31) HCRTR1HCRTR2

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 3142/4885KDM4E 760/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPT 3142/4885KDM4E 760/4885ALDH1A1 388/4885

“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.