SCHEMBL6804504

SCHEMBL6804504

CCc1nn(C2CN(C(c3ccccc3)c3ccccc3)C2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MGLL Q99685 4/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
OPRD1 P41143 2/20 0.35
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A9 P48067 1/20 0.35
POLB P06746 1/20 0.34
DGKA P23743 1/20 0.34
DGKG P49619 1/20 0.34
DGKB Q9Y6T7 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 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
SCHEMBL6806740 0.84 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL6358740 0.82 RAB9A (0.42) RAB9APAX8MGLLKMT2AMEN1
SCHEMBL7100099 0.74 RAB9A (0.36) RAB9APAX8MGLLKMT2AMEN1
SCHEMBL6442004 0.68 SMN1; SMN2 (0.78) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6810794 0.67 PDE5A (0.31)
SCHEMBL6629463 0.66 SMN1; SMN2 (0.49) SMN1; SMN2OPRD1ALDH1A1
SCHEMBL6202269 0.65 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AALDH1A1
SCHEMBL4496552 0.65 RIPK2 (0.47) RAB9ASMN1; SMN2KMT2AOPRD1CCR5
SCHEMBL6916828 0.65 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL28038421 0.65 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1POLB

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-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A RAB9A 815/4885PAX8 4601/4885SMN1; SMN2 2159/4885

“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.