SCHEMBL4554976

SCHEMBL4554976

Cc1ccc(N(O)O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
GPR35 Q9HC97 1/20 0.50
HCAR3 P49019 3/20 0.46
KDM4E B2RXH2 3/20 0.43
MCOLN3 Q8TDD5 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.42
KAT2B Q92831 2/20 0.42
KCNMA1 Q12791 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2036709 0.83 TSHR (0.62) TSHRCYP3A4GPR35HCAR3KDM4E
SCHEMBL7041286 0.83 TSHR (0.53) TSHRCYP3A4GPR35HCAR3KDM4E
SCHEMBL10936850 0.81 TSHR (0.55) TSHRCYP3A4GPR35HCAR3KDM4E
SCHEMBL27768184 0.78 TSHR (0.51) TSHRCYP3A4GPR35HCAR3KDM4E
SCHEMBL11613863 0.78 TSHR (0.51) TSHRCYP3A4GPR35HCAR3KDM4E
SCHEMBL9769601 0.78 ALDH1A1 (0.54) TSHRCYP3A4GPR35HCAR3KDM4E
SCHEMBL7328486 0.77 TSHR (0.55) TSHRCYP3A4GPR35HCAR3KDM4E
SCHEMBL29320803 0.77 TSHR (0.55) TSHRCYP3A4GPR35HCAR3KDM4E
SCHEMBL13999624 0.76 GPR35 (0.69) TSHRCYP3A4GPR35KDM4EPOLB
SCHEMBL18676266 0.76 ALDH1A1 (0.55) TSHRCYP3A4GPR35HCAR3KDM4E

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-20120108545-A1 Trioxane Monomers and Dimers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-03 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-20120108545-A1 Trioxane Monomers and Dimers CDK10, TMSB10, CASP10 TSHR 1327/4885CYP3A4 561/4885GPR35 181/4885

“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.