SCHEMBL6806899

SCHEMBL6806899

CCc1c([N+](=O)[O-])c(C(N)=O)nn1C[C@@H]1CCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
BTK Q06187 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 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
SCHEMBL6629342 1.00 MEN1 (0.36) MEN1KMT2APOLBSMN1; SMN2HPGD
SCHEMBL6806280 0.87 HRH1 (0.39) SMN1; SMN2
SCHEMBL6631333 0.81 SMN1; SMN2 (0.41) MEN1KMT2APOLBSMN1; SMN2HPGD
SCHEMBL6810247 0.81 SMN1; SMN2 (0.41) MEN1KMT2APOLBSMN1; SMN2HPGD
SCHEMBL6629620 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL6442557 0.75 SMN1; SMN2 (0.43) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL6811222 0.75 SMN1; SMN2 (0.37) MEN1KMT2APOLBSMN1; SMN2HPGD
SCHEMBL27492967 0.73 SMN1; SMN2 (0.41) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL6363517 0.70 GAA (0.46) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL6632459 0.70 BTK (0.33) BTKALDH1A1

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 MEN1 1517/4885KMT2A 4435/4885POLB 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.