SCHEMBL2166937

SCHEMBL2166937

CCCCC(CC)C(SOSC(c1ccc([N+](=O)[O-])cc1)C(CC)CCCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ MGLL Q99685 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ASAH2 Q9NR71 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL6136683 0.80 MAPT (0.42) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL2167383 0.79 SLC2A1 (0.33) MAPTLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL2167776 0.77 MAPT (0.42) MAPTMGLLLMNAASAH2ALDH1A1
SCHEMBL9392854 0.72 ALDH1A1 (0.62) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL10608761 0.72 MAPT (0.49) MAPTMGLLLMNAPOLBASAH2
SCHEMBL6680576 0.72 MAPT (0.49) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL8667678 0.71 MAPT (0.47) MAPTMGLLLMNAPOLBASAH2
SCHEMBL28807512 0.71 MAPT (0.47) MAPTMGLLLMNAMEN1KMT2A
SCHEMBL28488450 0.71 MAPT (0.47) MAPTMGLLLMNAPOLBASAH2
SCHEMBL14040086 0.70 NPC1 (0.49) MAPTLMNAMEN1KMT2AALDH1A1

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 6 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
CN-101925658-B Anthrapyridone compound or salt thereof, magenta ink composition containing anthrapyridone compound, and colored body NIPPON KAYAKU KK 2013-10-02 — — CN 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
CN-101925658-A Anthrapyridone compound or salt thereof, magenta ink composition containing anthrapyridone compound, and colored body NIPPON KAYAKU KK 2010-12-22 — — CN 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 MAPT 2147/4885MGLL 4359/4885LMNA 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.

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