SCHEMBL4411442

SCHEMBL4411442

C=CCc1ncc([N+](=O)[O-])[nH]1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ATG4B Q9Y4P1 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
SCHEMBL11087844 0.84
SCHEMBL11617678 0.78 ALDH1A1 (0.34)
SCHEMBL11754477 0.77 MAPT (0.31)
SCHEMBL8813561 0.77 GAA (0.42)
SCHEMBL7810661 0.74
SCHEMBL11347719 0.74
SCHEMBL5182829 0.74 TSHR (0.38) CYP2C19
SCHEMBL11859496 0.71 MAPT (0.31)
SCHEMBL7812152 0.71 ALDH1A1 (0.34)
SCHEMBL8411619 0.71 SMN1; SMN2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124593-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications MARTON MILANKOVITS 2009-05-14 US disclosed
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications MILANKOVITS MARTON 2009-03-19 US disclosed
US-20050208152-A1 Pharmaceutical compositions primarily for the treatment and prevention of genitourinary infections and their extragenital complications MILANKOVITS MARTON 2005-09-22 US disclosed
US-4065567-A Substituted nitroimidazolyl thiadiazoles and oxadiazoles as antibacterial agents and growth promoting compounds AMERICAN CYANAMID COMPANY (US) 1977-12-27 US disclosed
US-3991200-A Substituted nitroimidazolyl thiadiazoles and oxadiazoles as antibacterial agents and growth promoting compounds AMERICAN CYANAMID COMPANY (US) 1976-11-09 US disclosed
US-3952007-A Processes for preparing 5-nitro-1-methyl-2-(2-dialkylaminovinyl)-imidazole and 5-nitro-1-methyl-2-imidazolyl carboxaldehyde SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-20 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 (2 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-20090124593-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications SOD1, OAT, ELANE CYP2C19 2686/4885PDE4A 2685/4885PDE4C 2717/4885
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications DHFR, FPGS, FOLR1 CYP2C19 197/4885PDE4A 823/4885PDE4C 1198/4885

“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.