SCHEMBL2756388

SCHEMBL2756388

[2H]N1C(c2ccc(N)cc2)CCC1c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
CYP19A1 P11511 2/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC18A3 Q16572 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL20401811 0.81 DDB1 (0.41) DDB1CRBNCYP19A1MEN1MAPT
SCHEMBL2756273 0.77 KDM1A (0.40) MAPTTDP1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2756275 0.74 LMNA (0.42) ALDH1A1
SCHEMBL3442854 0.73 MEN1 (0.42) DDB1CRBNCYP19A1MEN1MAPT
SCHEMBL2756292 0.72 ALDH1A1 (0.38) MEN1MAPTKMT2ATDP1SMN1; SMN2
SCHEMBL2756279 0.70 MAPT (0.49) MAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL24363956 0.70 DRD2 (0.36) DDB1CRBNCYP19A1ALDH1A1
SCHEMBL24233839 0.70 DRD2 (0.36) DDB1CRBNCYP19A1ALDH1A1
SCHEMBL3333837 0.70 CHRNB2 (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL12478288 0.68 MEN1 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1

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 DDB1 339/4885CRBN 1861/4885CYP19A1 4426/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDB1 339/4885CRBN 1861/4885CYP19A1 4426/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDB1 339/4885CRBN 1861/4885CYP19A1 4426/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDB1 339/4885CRBN 1861/4885CYP19A1 4426/4885

“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.