SCHEMBL6645002

SCHEMBL6645002

CC(C)(C)OC(=O)N(CCn1ncc([N+](=O)[O-])c1NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.37
GAA P10253 1/20 0.35
THRB P10828 4/20 0.34
THRA P10827 3/20 0.34
VDR P11473 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MET P08581 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6648470 0.85 F2 (0.36) F2SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL6645000 0.79 ALDH1A1 (0.37) F2SMN1; SMN2ALDH1A1
SCHEMBL6645363 0.74 IRAK4 (0.34) F2SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL6643377 0.73 ALDH1A1 (0.43) F2GAACYP3A4CYP2C9CYP2C19
SCHEMBL6646621 0.73 PKM (0.38) PKMSMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL6645980 0.73 TP53 (0.31) F2
SCHEMBL6644716 0.73 F2 (0.36) F2
SCHEMBL6647719 0.67 F2 (0.31) F2
SCHEMBL6644819 0.67 F2 (0.40) F2PKMSMN1; SMN2MEN1CYP3A4
SCHEMBL5090319 0.66 MEN1 (0.50) F2SMN1; SMN2MEN1CYP3A4CYP2C9

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR F2 1415/4885GAA 3155/4885THRB 340/4885

“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.