SCHEMBL3144944

SCHEMBL3144944

Nc1ncc(Cc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 2/20 0.45
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
EPHX2 P34913 1/20 0.43
AR P10275 1/20 0.42
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL6807458 0.79 EPHX2 (0.50) ALDH1A1HPGDALOX15TSHRMGAM
SCHEMBL16061555 0.74 POLB (0.54) ALDH1A1HPGDTSHREPHX2POLB
SCHEMBL2201618 0.74 POLB (0.52) ALDH1A1HPGDTSHRGAAEPHX2
SCHEMBL231018 0.74 POLB (0.52) ALDH1A1HPGDTSHRGAAEPHX2
SCHEMBL301933 0.74 ALDH1A1 (0.69) ALDH1A1HPGDTSHRARL3MBTL1
SCHEMBL4164786 0.74 EPHX2 (0.60) ALDH1A1HPGDALOX15TSHRMGAM
SCHEMBL34467481 0.73 EPHX2 (0.49) ALDH1A1HPGDALOX15TSHREPHX2
SCHEMBL3139713 0.72 LMNA (0.57) ALDH1A1HPGDALOX15TSHRMGAM
Ammonia Solution, Strong SCHEMBL10338964 0.72 ALDH1A1 (0.67) ALDH1A1HPGDTSHRARL3MBTL1
SCHEMBL219638 0.72 MGAM (0.57) ALDH1A1HPGDALOX15MGAMGAA

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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 ALDH1A1 4423/4885HPGD 4322/4885ALOX15 2498/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 ALDH1A1 4423/4885HPGD 4322/4885ALOX15 2498/4885

“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.