SCHEMBL313417

SCHEMBL313417

CCCN(C)C(=O)c1ccc2cc([C@@](O)(CC(=O)O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
ACSS2 Q9NR19 1/20 0.35
PDK2 Q15119 1/20 0.35
SIRT2 Q8IXJ6 8/20 0.35
MLYCD O95822 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
NAMPT P43490 1/20 0.32
CNR2 P34972 1/20 0.32
MAPK14 Q16539 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2946274 0.83 CYP17A1 (0.43) ACSS2SIRT2
SCHEMBL312239 0.78 SIRT2 (0.36) ACSS2SIRT2MAPK14
SCHEMBL4033375 0.77 CYP17A1 (0.43) ACSS2SIRT2
SCHEMBL312834 0.77 KDM4E (0.37) ACSS2SIRT2SLC6A4KCNH2MAPK14
SCHEMBL4024970 0.77 CYP17A1 (0.44) ACSS2SIRT2
SCHEMBL312978 0.76 CYP17A1 (0.41) ACSS2SIRT2
SCHEMBL314420 0.75 CYP17A1 (0.40) ACSS2SIRT2
SCHEMBL312425 0.75 CYP17A1 (0.40) ACSS2SIRT2
SCHEMBL4023825 0.74 CYP17A1 (0.40) ACSS2SIRT2
SCHEMBL313247 0.73 CYP17A1 (0.42) ACSS2SIRT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-8093403-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
EP-2275411-A2 Reformatsky Reagent in Stable Form and Process for Producing the Same Takeda Pharmaceutical Company Limited (JP) 2011-01-19 EP disclosed
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 TNF 2822/4885ACSS2 1983/4885PDK2 1426/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 TNF 2822/4885ACSS2 1983/4885PDK2 1426/4885

“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.