SCHEMBL4285826

SCHEMBL4285826

CCOC(=O)c1sc(C)nc1OCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
GSK3B P49841 3/20 0.35
ROCK2 O75116 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD11B1 P28845 1/20 0.32
REN P00797 2/20 0.32
DRD4 P21917 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PDE5A O76074 1/20 0.32
LMNA P02545 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
SCHEMBL4287154 0.81 TSHR (0.43) GAATSHRALDH1A1HTTHSD17B10
SCHEMBL4285140 0.74 LMNA (0.35) ALDH1A1HSD17B10NPC1MAPTSMN1; SMN2
SCHEMBL4283989 0.73 CYP3A4 (0.40) NPC1SMN1; SMN2
SCHEMBL4294380 0.71 S1PR4 (0.38) RENKMT2A
Hydrochloric Acid SCHEMBL4291908 0.70 HPGD (0.44) TSHRALDH1A1HTTHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL4289619 0.70
SCHEMBL4290889 0.70 KDM4E (0.43) GAAALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL20654264 0.70 NPC1 (0.51) GAATSHRALDH1A1HTTHSD17B10
SCHEMBL4290262 0.70 CA1 (0.33) REN
SCHEMBL4297909 0.70 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2RENKMT2A

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 GAA 1381/4885TSHR 3226/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GAA 1381/4885TSHR 3226/4885ALDH1A1 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.