SCHEMBL6478160

SCHEMBL6478160

COC(=O)CC(C[N+](=O)[O-])c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
F2 P00734 6/20 0.41
F10 P00742 6/20 0.41
PRSS1 P07477 5/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL21609309 0.88 F10 (0.43) F2F10PRSS1LMNAL3MBTL1
SCHEMBL30947795 0.88 F10 (0.43) F2F10PRSS1LMNAL3MBTL1
SCHEMBL6478945 0.87 ALDH1A1 (0.38) KCNA5F2F10PRSS1MEN1
SCHEMBL7680353 0.86 F2 (0.42) F2F10PRSS1MEN1LMNA
SCHEMBL7682611 0.85 F2 (0.41) F2F10PRSS1ALDH1A1CYP3A4
SCHEMBL7688540 0.85 L3MBTL1 (0.48) F2F10PRSS1MEN1KMT2A
SCHEMBL6478745 0.85 ALDH1A1 (0.41) F2F10PRSS1MEN1LMNA
SCHEMBL30947796 0.85 ALDH1A1 (0.41) F2F10PRSS1MEN1LMNA
SCHEMBL7688672 0.85 MEN1 (0.49) MEN1LMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL29921355 0.84 ALDH1A1 (0.51) KCNA5KMT2AALDH1A1CYP3A4

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-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
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 WO 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 KCNA5 1720/4885F2 4856/4885F10 4834/4885

“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.