SCHEMBL6834458

SCHEMBL6834458

CCc1c([N+](=O)[O-])ccc(N)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 5/20 0.44
TDP1 Q9NUW8 5/20 0.43
CYP3A4 P08684 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 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
SCHEMBL77335 0.87 POLB (0.46) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL4365843 0.85 POLB (0.48) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL6036699 0.85 ALDH1A1 (0.47) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL2337048 0.84 POLB (0.47) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL9512370 0.79 TDP1 (0.48) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL18509214 0.78 GRIN2D (0.39) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL8214283 0.77 ALDH1A1 (0.49) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL7444129 0.77 LMNA (0.47) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL1538857 0.77 ALDH1A1 (0.51) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL27824900 0.77 MAPT (0.42) ALDH1A1MAPTLMNATSHRTDP1

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
CN-106983751-A Two ring substituted uracils and application thereof 拜耳医药股份有限公司 2017-07-28 CN disclosed
US-6750335-B2 NUCLEOSIDE FOR USE IN THE GENERATION OF PREFERENTIAL OLIGONUCEOTIDES NIGU CHEMIE GMBH (DE) 2004-06-15 US disclosed
EP-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 EP disclosed
US-20020146737-A1 Nucleoside derivatives with photolabile protective groups NIGU CHEMIE GMBH (DE) 2002-10-10 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-20020146737-A1 Nucleoside derivatives with photolabile protective groups XRN2, XPA, NSUN2 ALDH1A1 1966/4885MAPT 4771/4885LMNA 539/4885

“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.