Sugi Predict

Sugi Predict / Compounds / SCHEMBL13645441

SCHEMBL13645441

SCHEMBL13645441

[2H]c1nc(C([2H])([2H])Sc2nc3cc(OC)ccc3[nH]2)c(C([2H])([2H])[2H])c([N+](=O)[O-])c1C([2H])([2H])[2H]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP1 Q9P0U3 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRS3 P32247 2/20 0.39
▸ CYP2D6 P10635 13/20 0.38
▸ CYP2C9 P11712 13/20 0.38
▸ CYP2C19 P33261 13/20 0.38
▸ CYP1A2 P05177 12/20 0.38
▸ CYP2E1 P05181 12/20 0.38
▸ CYP2C8 P10632 12/20 0.38
▸ CYP2B6 P20813 12/20 0.38
▸ CYP3A4 P08684 11/20 0.38
▸ LMNA P02545 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NOS3 P29474 1/20 0.36

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
SCHEMBL13645453 0.97 SENP1 (0.37) SENP1MAPTHTTALDH1A1MEN1
Ufiprazole SCHEMBL13645476 0.84 BRS3 (0.45) MEN1KMT2ABRS3CYP2D6CYP2C9
Ufiprazole SCHEMBL13645428 0.82 BRS3 (0.42) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL13657702 0.81 ENPP3 (0.34) MAPT
Ufiprazole SCHEMBL13645377 0.77 BRS3 (0.59) HTTMEN1KMT2ABRS3CYP2D6
SCHEMBL1717505 0.77 BRS3 (0.61) SENP1MAPTHTTALDH1A1MEN1
SCHEMBL13645483 0.75 BRS3 (0.54) SENP1MAPTHTTALDH1A1MEN1
Ufiprazole SCHEMBL13645473 0.75 BRS3 (0.56) HTTMEN1KMT2ABRS3CYP2D6
Ufiprazole SCHEMBL13645534 0.73 BRS3 (0.52) HTTMEN1KMT2ABRS3CYP2D6
Ufiprazole SCHEMBL13645507 0.73 BRS3 (0.62) MAPTHTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598273-B2 Inhibitors of the gastric H+, K+-ATPase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC (US) 2009-10-06 — — US disclosed
US-20090215831-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-27 — — US disclosed
US-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 — — US disclosed
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-04-12 — — US 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-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 SENP1 2331/4885MAPT 3576/4885HTT 1388/4885
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 SENP1 2331/4885MAPT 3576/4885HTT 1388/4885
US-20090215831-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 SENP1 2331/4885MAPT 3576/4885HTT 1388/4885

“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.