SCHEMBL4287523

SCHEMBL4287523

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
HCRTR1 O43613 8/20 0.34
HCRTR2 O43614 7/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 2/20 0.33
POLB P06746 2/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
DYRK2 Q92630 1/20 0.31

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
SCHEMBL4281526 0.95 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL13705305 0.93 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL4291716 0.90 HCRTR1 (0.35) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL13705304 0.89 HCRTR1 (0.33) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL4296784 0.88 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL4286204 0.86 CHKA (0.33) ALDH1A1TSHRHCRTR1HCRTR2POLB
SCHEMBL4281558 0.86 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL4290997 0.86 HTR7 (0.34)
SCHEMBL4285549 0.85 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL4293922 0.84 NOS2 (0.32)

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 3142/4885SMN1; SMN2 4811/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPT 3142/4885SMN1; SMN2 4811/4885ALDH1A1 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.