SCHEMBL5065157

SCHEMBL5065157

CN(C)C(=O)c1cc(OCc2ccccc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.50
CTSL P07711 4/20 0.50
CYP19A1 P11511 4/20 0.46
BRD4 O60885 2/20 0.44
PTGES O14684 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
ABCB1 P08183 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31235862 0.90 CTSV (0.48) CTSVCTSLCYP19A1PTGESMEN1
SCHEMBL582235 0.87 CTSV (0.60) CTSVCTSLCYP19A1PTGESNPC1
SCHEMBL31235825 0.87 CTSV (0.60) CTSVCTSLCYP19A1PTGESNPC1
SCHEMBL11922562 0.85 CTSV (0.53) CTSVCTSLCYP19A1MEN1MAPT
SCHEMBL2682298 0.83 CTSV (0.49) CTSVCTSLCYP19A1BRD4PTGES
SCHEMBL5064933 0.81 BRD4 (0.47) CTSVCTSLCYP19A1BRD4KMT2A
SCHEMBL13504298 0.80 CTSV (0.54) CTSVCTSLCYP19A1PTGESMEN1
SCHEMBL1137268 0.80 PTGES (0.57) CTSVCTSLCYP19A1PTGESMEN1
SCHEMBL14050163 0.80 THRA (0.43) CYP19A1MEN1MAPTKMT2A
SCHEMBL5064967 0.80 BACE1 (0.51) CTSVCTSLMEN1MAPTKMT2A

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-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP CTSV 3390/4885CTSL 1489/4885CYP19A1 1430/4885

“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.