SCHEMBL4303680

SCHEMBL4303680

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)n2nnc3ccccc32)CC1)n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.45
FAAH O00519 7/20 0.43
MGLL Q99685 7/20 0.43
APAF1 O14727 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL406638 0.76 SLC9A1 (0.47) HSD17B10APAF1POLBGAACYP2C9
SCHEMBL4752313 0.76 HSD17B10 (0.50) HSD17B10MGLLPOLBRAB9ANPC1
SCHEMBL4749932 0.76 KMT2A (0.48) HSD17B10HTTAPAF1POLB
SCHEMBL25413984 0.75 CHRM2 (0.46) HSD17B10HTTFAAHMGLLPOLB
SCHEMBL5790948 0.72 POLB (0.57) HSD17B10APAF1POLBGAACYP2C19
SCHEMBL25414963 0.72 MEN1 (0.43) HSD17B10HTTFAAHMGLLPOLB
SCHEMBL14507096 0.72 FAAH (0.48) HTTFAAHMGLLPOLB
SCHEMBL31024024 0.71 FAAH (0.53) HSD17B10HTTFAAHMGLLAPAF1
SCHEMBL1866263 0.71 SLC9A1 (0.52) HSD17B10APAF1POLBGAACYP2C9
SCHEMBL7377982 0.71 SLC9A1 (0.52) HSD17B10APAF1POLBGAACYP2C9

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HSD17B10 1017/4885HTT 4390/4885FAAH 2632/4885

“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.