SCHEMBL4563247

SCHEMBL4563247

Nc1ccnc(=O)n1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.49
SCN2A Q99250 1/20 0.47
MAPK14 Q16539 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
FGFR1 P11362 1/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
PDE4A P27815 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4562527 0.78 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4563051 0.77 FAAH (0.44) MAPK14NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL543835 0.75 MAPT (0.56) HPNSCN2AMAPK14NPC1RAB9A
SCHEMBL5328812 0.71 HPN (0.58) HPNSCN2ANPC1RAB9AALDH1A1
SCHEMBL2627226 0.69 SCN2A (0.57) HPNSCN2ANPC1RAB9AALDH1A1
SCHEMBL30782027 0.69 SCN2A (0.57) HPNSCN2ANPC1RAB9AALDH1A1
SCHEMBL17172464 0.69 MAPT (0.57) HPNSCN2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28287781 0.69 ALDH1A1 (0.64) HPNSCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL345273 0.68 ALDH1A1 (0.48) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL3311690 0.68 ALDH1A1 (0.48) ALDH1A1MAPTCYP3A4MEN1KMT2A

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-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 US disclosed
EP-1976519-A2 CYTISINE AND ACETYLCHOLINE ANALOGS AND METHODS OF TREATING MOOD DISORDERS Yale University (US) 2008-10-08 EP disclosed
WO-2007100430-A2 CYTISINE AND ACETYLCHOLINE ANALOGS AND METHODS OF TREATING MOOD DISORDERS YALE UNIVERSITY (US) 2007-09-07 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-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders CHRNA1, CHRNA5, CHRNA10 HPN 4343/4885SCN2A 1356/4885MAPK14 2718/4885

“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.