SCHEMBL2167776

SCHEMBL2167776

CCCCCC(SOSC(CCCCC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ MGLL Q99685 2/20 0.41
▸ ASAH2 Q9NR71 1/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ BCL9 O00512 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.38

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
SCHEMBL17294442 0.77 CYP19A1 (0.51) MAPTMGLLASAH2KCNH2L3MBTL1
SCHEMBL2166901 0.77 SLC2A1 (0.42) MAPTALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL27729386 0.77 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL10607510 0.77 MAPT (0.47) MAPTMGLLASAH2CRHBPCRHR2
SCHEMBL6683966 0.77 MAPT (0.47) MAPTMGLLASAH2CRHBPCRHR2
SCHEMBL2166937 0.77 MAPT (0.40) MAPTMGLLASAH2CRHBPCRHR2
SCHEMBL8727031 0.77 MGLL (0.46) MAPTMGLLASAH2CRHBPCRHR2
SCHEMBL11308398 0.77 MGLL (0.46) MAPTMGLLASAH2CRHBPCRHR2
SCHEMBL9165350 0.77 MGLL (0.46) MAPTMGLLASAH2CRHBPCRHR2
SCHEMBL6683050 0.76 ASAH2 (0.47) MAPTMGLLASAH2CRHBPCRHR2

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 MAPT 2147/4885MGLL 4359/4885ASAH2 422/4885

“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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