SCHEMBL6916828

SCHEMBL6916828

CCc1c([N+](=O)[O-])c(C(N)=O)nn1C1CN(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
PDE5A O76074 2/20 0.34

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
SCHEMBL6356981 0.86 PDE5A (0.38) SMN1; SMN2PDE5A
SCHEMBL3579719 0.85 SMN1; SMN2 (0.38) SMN1; SMN2PDE5A
SCHEMBL6358740 0.84 RAB9A (0.42)
SCHEMBL6358537 0.82 PDE5A (0.40) SMN1; SMN2PDE5A
SCHEMBL6807402 0.82 PDE5A (0.36) PDE5A
SCHEMBL13500478 0.80 ALDH1A1 (0.35) SMN1; SMN2PDE5A
SCHEMBL6806740 0.79 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL7100099 0.76 RAB9A (0.36) PDE5A
SCHEMBL6200618 0.73 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL6442557 0.72 SMN1; SMN2 (0.43) SMN1; SMN2

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 SMN1; SMN2 2159/4885PDE5A 1/4885

“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.