SCHEMBL6812640

SCHEMBL6812640

NS(=O)(=O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GPR35 Q9HC97 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
CA5A P35218 2/20 0.48
S100A4 P26447 2/20 0.48
VCAM1 P19320 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 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
SCHEMBL28163932 0.87 KMT2A (0.47) TDP1GPR35KMT2AMEN1CA2
SCHEMBL28104917 0.87 TSHR (0.56) TDP1GPR35KMT2AMEN1CA2
SCHEMBL1130962 0.87 VCAM1 (0.53) TDP1GPR35KMT2AMEN1CA2
SCHEMBL1131161 0.82 ALDH1A1 (0.59) TDP1KMT2AMEN1CA2ALDH1A1
SCHEMBL1131516 0.82 ALDH1A1 (0.45) TDP1GPR35KMT2AMEN1CA2
SCHEMBL9877267 0.82 ERN1 (0.42) TDP1GPR35KMT2AMEN1CA2
SCHEMBL31294386 0.80 TDP1 (0.54) TDP1GPR35KMT2AMEN1CA2
Sulfamide SCHEMBL28235502 0.79 KMT2A (0.61) TDP1GPR35KMT2AMEN1CA2
SCHEMBL1130917 0.79 TDP1 (0.39) TDP1GPR35KMT2AMEN1CA2
SCHEMBL23668290 0.78 TDP1 (0.52) TDP1GPR35KMT2AMEN1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
CN-1458922-A Urea derivative and adhesive-molecule inhibitor containing same as ctive ingredient TORAY INDUSTRIES (JP) 2003-11-26 CN disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM TDP1 4288/4885GPR35 699/4885KMT2A 3270/4885

“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.