SCHEMBL6479396

SCHEMBL6479396

COC(=O)CC(C[N+](=O)[O-])c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP2C19 P33261 1/20 0.33
TNF P01375 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL6479354 0.86 MAPT (0.39) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7431251 0.85 MAPT (0.45) MAPTMEN1KMT2AHTT
SCHEMBL7680090 0.82 MEN1 (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7682360 0.81 L3MBTL1 (0.42) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL6487215 0.79 ALDH1A1 (0.42) ALDH1A1LMNAGAA
SCHEMBL10637253 0.76 ALDH1A1 (0.43) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL6974516 0.75 ALDH1A1 (0.41) L3MBTL1HTTALDH1A1CYP2C19TNF
SCHEMBL6487800 0.75 CNR1 (0.38) MAPTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL6478745 0.74 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL121043 0.74 PSEN1 (0.40) MAPTHTTALDH1A1CYP2C19LMNA

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-6861530-B2 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-01 US disclosed
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
US-20020137770-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-26 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-20020137770-A1 Piperidine derivatives CIP2A, PARP2, TP53 L3MBTL1 3244/4885MAPT 2999/4885MEN1 1991/4885

“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.