SCHEMBL16532811

SCHEMBL16532811

CCCCOCCOc1ncc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 3/20 0.45
OPRK1 P41145 1/20 0.44
ESR1 P03372 1/20 0.43
VCAM1 P19320 1/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16532807 0.91 ESR1 (0.51) MAPTPOLBLMNAESR1KMT2A
SCHEMBL16545190 0.88 MAPT (0.51) MAPTMAPK1POLBOPRK1ESR1
SCHEMBL16532808 0.81 RARB (0.40) MAPTLMNAHPGDL3MBTL1CYP1A2
SCHEMBL8986096 0.81 MAPT (0.47) MAPTMAPK1POLBLMNAHPGD
SCHEMBL72187 0.79 MAPT (0.56) MAPTMAPK1POLBLMNAOPRK1
SCHEMBL5309167 0.78 MAPT (0.51) MAPTMAPK1POLBLMNAOPRK1
SCHEMBL21081334 0.77 MAPT (0.46) MAPTMAPK1POLBLMNAOPRK1
SCHEMBL2007502 0.77 LMNA (0.49) MAPTMAPK1POLBLMNAOPRK1
SCHEMBL17512386 0.76 THRA (0.60) MAPTLMNAVCAM1HPGDKMT2A
SCHEMBL15878469 0.74 MAPT (0.47) MAPTMAPK1POLBLMNAOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
WO-2015026792-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2015-02-26 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-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 MAPT 4665/4885MAPK1 4304/4885POLB 429/4885

“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.