SCHEMBL4294579

SCHEMBL4294579

COC(=O)c1ncn(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
CNOT7 Q9UIV1 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 4/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRK1 P41145 2/20 0.37
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4283170 0.97 ALDH1A1 (0.45) ALDH1A1TP53HSD17B10GAACNOT7
SCHEMBL4286577 0.82 HSD17B10 (0.49) ALDH1A1TP53HSD17B10GAACNOT7
SCHEMBL13705073 0.80 HSD17B10 (0.49) ALDH1A1TP53HSD17B10GAACNOT7
SCHEMBL4282795 0.76 ALDH1A1 (0.45) ALDH1A1TP53HSD17B10GAASMN1; SMN2
SCHEMBL4285173 0.76 ALDH1A1 (0.45) ALDH1A1TP53HSD17B10GAASMN1; SMN2
SCHEMBL4293262 0.75 SLC6A3 (0.43) ALDH1A1TP53HSD17B10GAASMN1; SMN2
SCHEMBL11401439 0.70 ALDH1A1 (0.42) ALDH1A1TP53HSD17B10GAASMN1; SMN2
SCHEMBL14030797 0.69 ALDH1A1 (0.50) ALDH1A1TP53HSD17B10GAASMN1; SMN2
SCHEMBL3493828 0.69 FGFR1 (0.48) ALDH1A1TP53HSD17B10GAASMN1; SMN2
SCHEMBL630753 0.67 CNR2 (0.37) ALDH1A1SMN1; SMN2NPSR1OPRK1NPC1

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 5 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-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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 ALDH1A1 388/4885TP53 2535/4885HSD17B10 1017/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TP53 2535/4885HSD17B10 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.