SCHEMBL3480941

SCHEMBL3480941

O=C(O)c1cc([N+](=O)[O-])ccc1SOSc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPT P10636 3/20 0.53
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44

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
SCHEMBL4639794 0.85 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL3464421 0.82 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL13631865 0.82 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6553716 0.82 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL28168037 0.78 HTT (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11794829 0.78 APEX1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL3861678 0.78 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL4433443 0.77 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL9659388 0.77 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL260006 0.77 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15MAPT

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-20100291360-A1 Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2243805-A1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2010-10-27 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-20100291360-A1 Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product MLLT3, MLLT1, H1-3 ALDH1A1 1777/4885TDP1 4643/4885CYP3A4 2392/4885

“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.