SCHEMBL6480926

SCHEMBL6480926

COC(=O)CC(C[N+](=O)[O-])c1sccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NTSR1 P30989 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 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
SCHEMBL6492480 0.87 ALDH1A1 (0.35) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6479516 0.83 ALDH1A1 (0.34) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL29960352 0.79 ALDH1A1 (0.38) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL7687237 0.77 CNR1 (0.43) MAPTALDH1A1HPGD
SCHEMBL10642651 0.76 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL6479633 0.76 CNR1 (0.38) ALOX5MAPTALDH1A1RAB9AMEN1
SCHEMBL2994556 0.76 ALOX5 (0.44) ALOX5MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6479039 0.75 TAS1R3 (0.40) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL698333 0.74 ALDH1A1 (0.51) MAPTALDH1A1NPC1HPGDKMT2A
SCHEMBL29921355 0.74 ALDH1A1 (0.51) MAPTALDH1A1NPC1HPGDKMT2A

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 ALOX5 2698/4885MAPT 2999/4885ALDH1A1 270/4885

“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.