SCHEMBL2168405

SCHEMBL2168405

CCOC(=O)c1c(SOSc2cccc(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.56
AR P10275 8/20 0.53
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL9754581 0.83 PRKCZ (0.60) PRKCZARMAPTMAPK1ALDH1A1
SCHEMBL2167397 0.83 PRKCZ (0.54) PRKCZMAPTALDH1A1GAARAB9A
SCHEMBL2167279 0.83 POLB (0.42) PRKCZARMAPTMAPK1ALDH1A1
SCHEMBL7640668 0.76 MAPT (0.57) PRKCZARMAPTGAARAB9A
SCHEMBL11518208 0.71 PRKCZ (1.00) PRKCZARMAPTMAPK1ALDH1A1
SCHEMBL28362521 0.71 KCNJ1 (0.64) PRKCZARMAPTALDH1A1GAA
SCHEMBL2168401 0.70 ALDH1A1 (0.45) MAPTMAPK1ALDH1A1GAARAB9A
SCHEMBL9874545 0.70 PRKCZ (0.54) PRKCZARMAPTMAPK1ALDH1A1
SCHEMBL276323 0.70 AR (0.56) PRKCZARMAPTGAARAB9A
SCHEMBL17126932 0.70 AR (0.47) PRKCZARMAPTALDH1A1GAA

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 PRKCZ 4539/4885AR 371/4885MAPT 2147/4885

“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.