SCHEMBL5880844

SCHEMBL5880844

CCCN(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
TLR9 Q9NR96 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 4/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
S1PR4 O95977 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL11124464 0.89 MAPT (0.47) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL4611261 0.87 NPC1 (0.46) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL162872 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL147785 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL1770692 0.79 ESR1 (0.43) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL6282927 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL2522995 0.77 KCNA3 (0.39) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL5025924 0.77 MEN1 (0.42) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL8812805 0.77 HSD17B10 (0.43) ALDH1A1LMNATSHRMAPK1HCAR3
SCHEMBL2522993 0.77 HTR1A (0.40) ESR1TP53HCAR3

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
US-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates NORTHEASTERN UNIVERSITY (US) 2021-09-28 US disclosed
US-20180369131-A1 Chemo-Enzymatic Site-Specific Modification of Peptides and Proteins to Form Cleavable Conjugates NORTHEASTERN UNIVERSITY 2018-12-27 US disclosed
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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 (3 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-20180369131-A1 Chemo-Enzymatic Site-Specific Modification of Peptides and Proteins to Form Cleavable Conjugates GLUL, QPCT, DNPEP ALDH1A1 3701/4885MEN1 815/4885KMT2A 857/4885
US-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates GLUL, QPCT, DNPEP ALDH1A1 3701/4885MEN1 815/4885KMT2A 857/4885
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 ALDH1A1 729/4885MEN1 4865/4885KMT2A 3031/4885

“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.