SCHEMBL629044

SCHEMBL629044

COCCN(Cc1ccc(N)cc1)Cc1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HRH3 Q9Y5N1 3/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAOA P21397 1/20 0.39
HTR3A P46098 1/20 0.39
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
MAPK1 P28482 1/20 0.35

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
SCHEMBL3143360 0.96 MAPT (0.59) MAPTMEN1KMT2AHRH3TSHR
SCHEMBL3151763 0.83 LTA4H (0.47) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL8281044 0.80 MEN1 (0.51) MEN1KMT2ATSHRCYP2D6NPSR1
SCHEMBL3746659 0.77 MEN1 (0.50) MAPTMEN1KMT2AHRH3ALDH1A1
SCHEMBL5209926 0.77 MAPT (0.46) MAPTMEN1KMT2AHRH3TSHR
SCHEMBL16328931 0.77 MEN1 (0.43) MEN1KMT2AHRH3MAOA
SCHEMBL19088826 0.77 MEN1 (0.43) MEN1KMT2AHRH3MAOAALDH1A1
SCHEMBL16700402 0.76 MAPT (0.61) MAPTMEN1KMT2AHRH3TSHR
SCHEMBL8281042 0.76 MEN1 (0.51) MEN1KMT2ATSHRCYP2D6NPSR1
SCHEMBL12156526 0.76 TDP1 (0.50) MAPTMEN1KMT2AHRH3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885MEN1 4681/4885KMT2A 4093/4885

“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.