SCHEMBL2756262

SCHEMBL2756262

[2H]n1c(-c2ccc([N+](=O)[O-])cc2)ccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ POLB P06746 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MCL1 Q07820 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ DYRK1A Q13627 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ APP P05067 1/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL2756319 0.91 MAPT (0.47) MAPTPOLBALDH1A1MCL1GFER
SCHEMBL20401760 0.83 MAPT (0.59) MAPTPOLBALDH1A1MCL1GFER
SCHEMBL28198 0.77 CA1 (0.67) MAPTPOLBALDH1A1TDP1APP
SCHEMBL6423919 0.77 CA1 (0.67) MAPTPOLBALDH1A1TDP1APP
SCHEMBL20401794 0.75 MAPT (0.51) MAPTPOLBALDH1A1MCL1GFER
Water SCHEMBL28670631 0.74 CA1 (0.64) MAPTPOLBALDH1A1TDP1APP
SCHEMBL28711861 0.74 ALDH1A1 (0.65) ALDH1A1TDP1APPCA12CA1
SCHEMBL22567 0.74 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ATDP1APP
SCHEMBL27909482 0.74 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ATDP1APP
SCHEMBL8816050 0.72 MAPT (0.54) MAPTPOLBALDH1A1MCL1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 — — US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 — — US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 — — US 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 (5 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885ALDH1A1 2858/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885ALDH1A1 2858/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885ALDH1A1 2858/4885

“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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