SCHEMBL14791027

SCHEMBL14791027

CC(=O)N(N=O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ADH1A P07327 4/20 0.32
ADH1C P00326 3/20 0.32
KDM4E B2RXH2 2/20 0.31
SPHK1 Q9NYA1 2/20 0.31
ALDH1A1 P00352 2/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
TDP2 O95551 1/20 0.31
S1PR4 O95977 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL102987 0.98 LMNA (0.36) LMNAADH1AADH1CKDM4ESPHK1
SCHEMBL102998 0.91
SCHEMBL9918702 0.77 ALOX5 (0.38) ADH1AADH1CADH4ADRA2APDE4A
SCHEMBL1238560 0.76 ALOX5 (0.39) ADH1AADH1CALDH1A1PAX8ADRA2A
SCHEMBL103331 0.75 RAB9A (0.33) ADH1AADH1CALDH1A1RAB9AADRA2A
SCHEMBL39462 0.75 ADRA2A (0.40) ADH1AADH1CKDM4EALDH1A1NPC1
Water SCHEMBL27452754 0.75 LMNA (0.33) LMNAALDH1A1
SCHEMBL14794984 0.74
SCHEMBL14776360 0.74 ADH1C (0.35) LMNAADH1AADH1CKDM4EALDH1A1
SCHEMBL6467646 0.71 EPHX1 (0.42) ADH1AADH1CKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 LMNA 4684/4885ADH1A 3778/4885ADH1C 2601/4885

“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.