SCHEMBL6770368

SCHEMBL6770368

O=C(O)c1nsc2c([N+](=O)[O-])cccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
GPR35 Q9HC97 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
APEX1 P27695 1/20 0.41
FBP1 P09467 2/20 0.41
ACP1 P24666 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
CDK2 P24941 2/20 0.39
NOS1 P29475 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
SCHEMBL28966398 0.80 TDP1 (0.50) TDP1GPR35POLBMEN1KMT2A
SCHEMBL30304769 0.80 TDP1 (0.50) TDP1GPR35POLBMEN1KMT2A
SCHEMBL14352772 0.80 TDP1 (0.50) TDP1GPR35POLBMEN1KMT2A
SCHEMBL17224000 0.78 TDP1 (0.42) TDP1GPR35POLBMEN1KMT2A
SCHEMBL11213482 0.76 TDP1 (0.50) TDP1GPR35POLBMEN1KMT2A
SCHEMBL8392625 0.76 TDP1 (0.50) TDP1GPR35POLBMEN1KMT2A
SCHEMBL17233958 0.76 TDP1 (0.43) TDP1GPR35POLBMEN1KMT2A
SCHEMBL27349934 0.74 TDP1 (0.47) TDP1GPR35POLBMEN1KMT2A
SCHEMBL4394804 0.73 TDP1 (0.41) TDP1GPR35POLBMEN1KMT2A
SCHEMBL6982906 0.73 GPR35 (0.48) TDP1GPR35POLBMEN1KMT2A

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
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT TDP1 1774/4885GPR35 3285/4885POLB 3939/4885

“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.