SCHEMBL6830861

SCHEMBL6830861

CCc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
POLB P06746 2/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 4/20 0.52
ALDH1A1 P00352 6/20 0.50
TSHR P16473 5/20 0.50
CYP1A2 P05177 3/20 0.50
MAPK1 P28482 2/20 0.50
HIF1A Q16665 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TXNRD1 Q16881 1/20 0.48
TXNRD3 Q86VQ6 1/20 0.48
TXNRD2 Q9NNW7 1/20 0.48
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.45

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
SCHEMBL27865322 0.87 CYP1A2 (0.50) GPR35POLBHTTTDP1ALDH1A1
SCHEMBL5252230 0.86 GPR35 (0.57) GPR35POLBHTTTDP1ALDH1A1
SCHEMBL188306 0.84 CYP1A2 (0.64) GPR35POLBHTTTDP1ALDH1A1
SCHEMBL29638033 0.84 CYP1A2 (0.64) GPR35POLBHTTTDP1ALDH1A1
SCHEMBL7566464 0.83 POLB (0.59) POLBHTTTDP1ALDH1A1TSHR
SCHEMBL5255224 0.82 GPR35 (0.53) GPR35POLBHTTTDP1ALDH1A1
SCHEMBL8832188 0.82 GPR35 (0.58) GPR35POLBTDP1ALDH1A1TSHR
SCHEMBL11222493 0.82 GPR35 (0.53) GPR35POLBHTTTDP1ALDH1A1
SCHEMBL9190652 0.82 GPR35 (0.53) GPR35TDP1ALDH1A1TSHRCYP1A2
SCHEMBL9192755 0.82 TSHR (0.58) GPR35TDP1ALDH1A1TSHRCYP1A2

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
CN-116323638-A Stapled peptides and methods thereof 弗格制药有限公司 2023-06-23 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
EP-1224198-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2002-07-24 EP disclosed
WO-2001032671-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2001-05-10 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-20020146737-A1 Nucleoside derivatives with photolabile protective groups XRN2, XPA, NSUN2 GPR35 4532/4885POLB 47/4885HTT 1439/4885

“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.