SCHEMBL6491602

SCHEMBL6491602

COC(=O)CC(C[N+](=O)[O-])c1ccc(C)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6479039 0.87 TAS1R3 (0.40) LMNASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL6477248 0.83 CYP2C9 (0.45) LMNASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL10642651 0.79 ALDH1A1 (0.43) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7680353 0.77 F2 (0.42) LMNAALDH1A1CYP2C19HPGD
SCHEMBL7687237 0.76 CNR1 (0.43) MAPTALDH1A1HPGD
SCHEMBL7431251 0.76 MAPT (0.45) MAPT
SCHEMBL31406367 0.75 MAPT (0.43) LMNASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL16971094 0.75 MAPT (0.43) LMNASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL6478945 0.75 ALDH1A1 (0.38) LMNAMAPTKDM4EALDH1A1CYP2C19
SCHEMBL6479516 0.74 ALDH1A1 (0.34) LMNANPC1RAB9AMAPTKDM4E

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 2 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-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 LMNA 4114/4885ABL1 692/4885RIN1 2525/4885

“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.