SCHEMBL6631333

SCHEMBL6631333

CCc1nn(C[C@H]2CCCN2C(=O)O)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.32
BTK Q06187 2/20 0.31
LMNA P02545 2/20 0.31
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
ADRA1B P35368 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6810247 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL6805700 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ADRA1AHRH1ADRA1B
SCHEMBL6632459 0.84 BTK (0.33) ALDH1A1BTKADRA1AHRH1ADRA1B
SCHEMBL6629342 0.81 MEN1 (0.36) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL6806899 0.81 MEN1 (0.36) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL6629463 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1
SCHEMBL6629811 0.75 SMN1; SMN2 (0.48) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL28038421 0.73 SMN1; SMN2 (0.60) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL6357080 0.70 SMN1; SMN2 (0.48) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL28038719 0.70 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
EP-1368352-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2003-12-10 EP disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US disclosed
WO-2002074774-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2002-09-26 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 2159/4885MEN1 1517/4885POLB 1558/4885

“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.