SCHEMBL1026028

SCHEMBL1026028

CCS(=O)(=O)CCc1nc(C)[nH]c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.36
MDM2 Q00987 1/20 0.35
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
GFER P55789 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
SCHEMBL9542124 0.86 MAPT (0.42) MAPTALDH1A1SMN1; SMN2GAAMDM2
SCHEMBL9542871 0.82 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2GAAMDM2
SCHEMBL8803147 0.78 MAPT (0.46) MAPTALDH1A1SMN1; SMN2GAAMDM2
SCHEMBL7801786 0.78 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2GAAMDM2
SCHEMBL4269080 0.77 MAPT (0.49) MAPTALDH1A1SMN1; SMN2GAAMDM2
SCHEMBL3469591 0.77 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8594839 0.77 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2GAAMDM2
Hydrochloric Acid SCHEMBL4618823 0.74 MAPT (0.47) MAPTALDH1A1SMN1; SMN2GAAMDM2
SCHEMBL3986231 0.74 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8663859 0.73 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNAGAA

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-2273974-A2 PROGUANIL TO TREAT SKIN/MUCOSAL DISEASES Tolmar, Inc. (US) 2011-01-19 EP disclosed
WO-2009137100-A2 PROGUANIL TO TREAT SKIN/MUCOSAL DISEASES TOLMAR, INC. (US) 2009-11-12 WO disclosed
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
WO-1993020817-A1 NOVEL USE OF NITROIMIDAZOLES HYDRO PHARMA SVERIGE AB (SE) 1993-10-28 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 (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 MAPT 252/4885ALDH1A1 1707/4885SMN1; SMN2 4/4885
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications DHFR, FPGS, FOLR1 MAPT 1948/4885ALDH1A1 4171/4885SMN1; SMN2 3502/4885

“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.