SCHEMBL402632

SCHEMBL402632

CN(C)C(=O)c1cc(CCCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.43
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL402250 0.84 MAPT (0.46) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL2598686 0.84 HPGD (0.46) L3MBTL1CYP1A2KMT2AHPGDMEN1
SCHEMBL2597757 0.84 HPGD (0.46) L3MBTL1CYP1A2KMT2AHPGDMEN1
SCHEMBL402138 0.83 KMT2A (0.42) L3MBTL1KMT2AMEN1NPSR1HTT
SCHEMBL27575457 0.80 TSHR (0.53) L3MBTL1CYP1A2HPGDHSD17B10CYP2D6
SCHEMBL3735227 0.80 KMT2A (0.47) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL397878 0.79 CYP4F2 (0.47) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL23077767 0.77 MAPK1 (0.48) CYP1A2KMT2AHPGDMEN1HSD17B10
SCHEMBL3726231 0.75 PDGFRB (0.45) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL4704569 0.74 LMNA (0.53) CYP1A2KMT2AHPGDMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA L3MBTL1 2023/4885CYP1A2 639/4885KMT2A 3181/4885

“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.