SCHEMBL7041885

SCHEMBL7041885

COC(=O)c1ccc(-c2ccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.61
NPC1 O15118 5/20 0.56
MAPT P10636 5/20 0.56
RAB9A P51151 5/20 0.56
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
KMT2A Q03164 3/20 0.56
RELA Q04206 3/20 0.56
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
STAT1 P42224 1/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
MMP2 P08253 2/20 0.55
MMP9 P14780 2/20 0.55
MMP8 P22894 2/20 0.55

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
SCHEMBL7041761 0.92 NPBWR1 (0.50) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL5219206 0.88 NPBWR1 (0.77) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL7040027 0.88 CHEK2 (0.62) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL19995192 0.82 NPBWR1 (0.69) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL7038689 0.81 KDM4E (0.75) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL3183363 0.80 NPBWR1 (0.63) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL14599560 0.80 PLAU (0.63) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL7034855 0.79 CHEK2 (0.54) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL14583010 0.79 CHEK2 (0.50) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL14400748 0.79 CHEK2 (0.50) NPBWR1NPC1MAPTRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030104473-A1 Common ligand mimics: benzimidazoles TRIAD THERAPEUTICS, INC. 2003-06-05 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 (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-20030104473-A1 Common ligand mimics: benzimidazoles BID, LIFR, FGFR3 NPBWR1 876/4885NPC1 3867/4885MAPT 4471/4885

“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.