SCHEMBL5814264

SCHEMBL5814264

NOc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
GPR35 Q9HC97 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 4/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
HSPB1 P04792 3/20 0.45
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL29374991 0.85 ALDH1A1 (0.61) TDP1GPR35HTTALDH1A1MEN1
SCHEMBL123957 0.85 ALDH1A1 (0.61) TDP1GPR35HTTALDH1A1MEN1
SCHEMBL8977874 0.81 HTT (0.68) TDP1GPR35HTTALDH1A1MAPT
SCHEMBL19906386 0.79 ALDH1A1 (0.60) TDP1HTTALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL27568533 0.78 BACE1 (0.44) TDP1GPR35ALDH1A1MEN1KMT2A
SCHEMBL14597895 0.78 HTT (0.69) TDP1HTTALDH1A1MEN1MAPT
SCHEMBL619337 0.78 GPR35 (0.55) TDP1GPR35HTTALDH1A1MEN1
SCHEMBL30459424 0.78 GPR35 (0.55) TDP1GPR35HTTALDH1A1MEN1
SCHEMBL7296262 0.78 GPR35 (0.50) TDP1GPR35HTTALDH1A1MEN1
SCHEMBL7296254 0.78 GPR35 (0.50) TDP1GPR35HTTALDH1A1MEN1

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
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 WO disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 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-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 TDP1 1225/4885GPR35 1593/4885HTT 4166/4885

“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.