Sugi Predict

Sugi Predict / Compounds / SCHEMBL367160

SCHEMBL367160

SCHEMBL367160

NP(N)(=O)N(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ CA2 P00918 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8781469 0.77 CRHBP (0.47) CRHBPCRHR2CA2CYP1A2CYP2C19
SCHEMBL2325614 0.73 AOC3 (0.48) CRHBPCRHR2CA2CYP1A2CYP2C19
SCHEMBL28930389 0.72 CA2 (0.47) CA2AOC3ALDH1A1TSHRHPGD
SCHEMBL9265192 0.72 CRHBP (0.47) CRHBPCRHR2CA2CYP1A2CYP2C19
SCHEMBL3240015 0.70 CRHBP (0.42) CRHBPCRHR2CA2CYP1A2CYP2C19
SCHEMBL10875871 0.69 AOC3 (0.54) CA2AOC3MEN1KMT2ALMNA
SCHEMBL11745244 0.69 CRHBP (0.50) CRHBPCRHR2CA2CYP1A2CYP2C19
SCHEMBL6129082 0.69 CRHBP (0.49) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL9404109 0.69 ALDH1A1 (0.52) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL3247737 0.69 CRHBP (0.41) CRHBPCRHR2CA2CYP1A2CYP2C19

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-10357577-B2 Bacterial nitroreductase enzymes and methods relating thereto AUCKLAND UNISERVICES LIMITED (NZ) 2019-07-23 — — US disclosed
US-20130295011-A1 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO VICTORIA LINK LIMITED (NZ) 2013-11-07 — — US disclosed
EP-2593796-A2 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO Auckland Uniservices Limited (NZ) 2013-05-22 — — EP disclosed
US-20120322768-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING PROTOZOAN INFECTIONS QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-12-20 — — US disclosed
WO-2012008860-A2 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO AUCKLAND UNISERVICES LIMITED (NZ) 2012-01-19 — — WO disclosed
WO-2011066416-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PROTOZOAN INFECTIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-06-03 — — 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-20120322768-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING PROTOZOAN INFECTIONS PHOSPHO1, CYCS, DPM1 CRHBP 3713/4885CRHR2 4617/4885CA2 513/4885

“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.