SCHEMBL2167397

SCHEMBL2167397

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 6/20 0.54
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 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
SCHEMBL2168405 0.83 PRKCZ (0.56) PRKCZLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL27560216 0.82 PRKCZ (0.60) PRKCZLMNACYP1A2CYP3A4MAOA
SCHEMBL29229205 0.75 PRKCZ (0.62) PRKCZLMNACYP1A2CYP3A4MAOA
SCHEMBL7441914 0.74 ALDH1A1 (0.61) PRKCZLMNACYP1A2CYP3A4MAOA
SCHEMBL18803865 0.73 ALDH1A1 (0.59) LMNACYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL9683905 0.72 ALDH1A1 (0.55) LMNACYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL27993955 0.70 CYP3A4 (0.43) PRKCZLMNACYP3A4MAOAALDH1A1
SCHEMBL8289654 0.70 PRKCZ (1.00) PRKCZLMNAALDH1A1MAPTGAA
SCHEMBL2167395 0.70 ALDH1A1 (0.52) LMNACYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL27636759 0.69 ALDH1A1 (0.55) LMNACYP1A2CYP3A4ALDH1A1MAPT

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 4539/4885LMNA 3323/4885CYP1A2 1469/4885

“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.