SCHEMBL2756319

SCHEMBL2756319

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ POLB P06746 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ XDH P47989 2/20 0.47
▸ MCL1 Q07820 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2756262 0.91 MAPT (0.53) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL20401794 0.86 MAPT (0.51) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL2329450 0.81 POLB (0.58) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL2756255 0.81 ALDH1A1 (0.47) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL85535 0.79 MEN1 (0.64) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL19025562 0.77 MEN1 (0.62) MAPTPOLBMEN1KMT2ARAB9A
Fluoride SCHEMBL27503363 0.77 MEN1 (0.62) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL20401760 0.75 MAPT (0.59) MAPTPOLBMEN1KMT2ARAB9A
Cyanide SCHEMBL29151815 0.73 MEN1 (0.58) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL13479655 0.70 ALDH1A1 (0.54) MAPTPOLBMEN1KMT2ARAB9A

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885MEN1 4681/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885MEN1 4681/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885MEN1 4681/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885POLB 138/4885MEN1 4681/4885

“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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