SCHEMBL4829940

SCHEMBL4829940

O=C1C2CC3C(=O)N(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)C(=O)C3CC2C(=O)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 3/20 0.44
MMP2 P08253 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
ACHE P22303 1/20 0.40
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 2/20 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
SCHEMBL6650340 0.86 CA1 (0.44) PARLMMP2ALDH1A1CA1CA2
SCHEMBL4831931 0.81 KMT2A (0.55) PARLMMP2ALDH1A1CA9CA12
SCHEMBL2957966 0.81 PARL (0.62) PARLMMP2ALDH1A1CA1CA2
SCHEMBL4830039 0.80 PARL (0.44) PARLMMP2ALDH1A1CA1CA2
SCHEMBL4837175 0.80 ALDH1A1 (0.50) PARLMMP2ALDH1A1CA1CA2
SCHEMBL4832240 0.80 KDM4E (0.50) PARLMMP2ALDH1A1CA2LMNA
SCHEMBL4837033 0.80 PARL (0.64) PARLMMP2ALDH1A1SMN1; SMN2HTT
SCHEMBL4826503 0.78 GAA (0.49) PARLMMP2ALDH1A1SMN1; SMN2HTT
SCHEMBL4833933 0.77 ALDH1A1 (0.59) PARLALDH1A1CA2SMN1; SMN2LMNA
SCHEMBL4835211 0.77 TDP1 (0.41) PARLALDH1A1SMN1; SMN2LMNAHTT

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-7374857-B2 Bismide compound, acid generator and resist composition each containing the same, and method of forming pattern from the composition WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2008-05-20 US disclosed
US-20050038261-A1 Bismide compound, acid generator and resist composition each containing the same, and method of forming pattern from the composition WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2005-02-17 US disclosed
EP-1449833-A1 BISIMIDE COMPOUND, ACID GENERATOR AND RESIST COMPOSITION EACH CONTAINING THE SAME, AND METHOD OF FORMING PATTERN FROM THE COMPOSITION Wako Pure Chemical Industries, Ltd. (JP) 2004-08-25 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-20050038261-A1 Bismide compound, acid generator and resist composition each containing the same, and method of forming pattern from the composition ASIC1, GAR1, RER1 PARL 1086/4885MMP2 4856/4885ALDH1A1 633/4885

“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.