SCHEMBL3480944

SCHEMBL3480944

O=C(Sc1ccc([N+](=O)[O-])cc1C(=O)O)c1cc([N+](=O)[O-])ccc1S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40

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
SCHEMBL2167282 0.90 ALDH1A1 (0.40) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL6510484 0.83 ALDH1A1 (0.59) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL3464421 0.79 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL4639794 0.79 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL6553716 0.76 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL13631865 0.76 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL3480941 0.75 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL7221805 0.74 ALDH1A1 (0.64) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL11794829 0.72 APEX1 (0.57) ALDH1A1MAPTCYP3A4ALOX15TDP1
SCHEMBL3861678 0.72 ALDH1A1 (0.62) ALDH1A1MAPTCYP3A4ALOX15TDP1

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 1777/4885MAPT 2147/4885CYP3A4 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.