SCHEMBL6713099

SCHEMBL6713099

CCCc1nn(CCN2C(=O)c3ccccc3C2=O)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 8/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
PDE5A O76074 1/20 0.37
TERT O14746 1/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
MAPT P10636 2/20 0.34
ACHE P22303 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 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
SCHEMBL6711341 0.91 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1POLBKDM4EHTT
SCHEMBL6717840 0.84 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4EHTTTERT
SCHEMBL6338203 0.79 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1POLBTERTKMT2A
SCHEMBL1295 0.78 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1POLBKDM4EHTT
SCHEMBL3583425 0.77 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1POLBKDM4ETERT
SCHEMBL1452 0.74 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1TERTKMT2ALMNA
SCHEMBL28038421 0.73 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1POLBKDM4EHTT
SCHEMBL6443705 0.72 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTPDE5ATERT
SCHEMBL28038719 0.70 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL7847021 0.70 SMN1; SMN2 (0.90) SMN1; SMN2TERTKMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 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-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 SMN1; SMN2 4046/4885ALDH1A1 1021/4885POLB 1225/4885

“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.