SCHEMBL2168401

SCHEMBL2168401

CCOC(=O)c1cc(-c2ccccc2[N+](=O)[O-])ccc1SOSc1ccc(-c2ccccc2[N+](=O)[O-])cc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 5/20 0.44
GAA P10253 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.40
CACNA1D Q01668 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSTP1 P09211 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
SCHEMBL2167276 0.83 ALDH1A1 (0.49) ALDH1A1MAPTGAATDP1KMT2A
SCHEMBL2167395 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL27675217 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL5652491 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL15847247 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL1523174 0.73 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL31325723 0.73 ERN1 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL1920261 0.72 MAPT (0.52) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL1568682 0.72 SLC6A2 (0.50) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL29158689 0.72 CDC7 (0.56) ALDH1A1SMN1; SMN2LMNAGALR2MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243805-B1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-11-26 EP disclosed
US-7985287-B2 Anthrapyridone compound or a salt thereof, magenta ink composition containing the anthrapyridone compound and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
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 1777/4885SMN1; SMN2 1648/4885LMNA 3323/4885

“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.