SCHEMBL2756339

SCHEMBL2756339

[2H]C1C(c2ccc(N)cc2)CCN1c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
GFER P55789 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
ADRA2C P18825 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
USP2 O75604 2/20 0.43
SLC18A3 Q16572 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 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
SCHEMBL20401806 0.82 MAPT (0.46) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL10035921 0.81 MAPT (0.49) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL1704973 0.79 MAPT (0.56) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL16763481 0.77 SLC18A3 (0.47) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL241159 0.77 DHFR (0.50) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL9828388 0.75 CHKA (0.48) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL6613474 0.75 SMPD3 (0.47) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL6287835 0.72 MAPT (0.59) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL158531 0.72 QDPR (0.55) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL17264101 0.71 MAPT (0.59) MAPTALDH1A1GFERKDM4EGAA

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 2833/4885ALDH1A1 2858/4885GFER 3767/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885GFER 3767/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885GFER 3767/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885ALDH1A1 2858/4885GFER 3767/4885

“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.