SCHEMBL2962789

SCHEMBL2962789

CNC(=O)c1ccc(COc2cc(N)cc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NR4A2 P43354 1/20 0.45
PLK1 P53350 2/20 0.44
SCN9A Q15858 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL2957648 0.81 MAOB (0.51) MRGPRX4MAPTALDH1A1RXRARXRB
SCHEMBL2962767 0.80 KMT2A (0.52) MAPTALDH1A1MAPK1HTTMAOA
SCHEMBL4759139 0.76 PARP10 (0.45) MRGPRX4RXRARXRBRXRGMAOA
SCHEMBL21477287 0.75 MAOB (0.60) MAOAMAOBNR4A2
SCHEMBL2969885 0.75 MAOB (0.50) HTTRXRARXRBMAOAMAOB
SCHEMBL15903046 0.74 MAOB (0.62) MRGPRX4MAPTRXRARXRBRXRG
SCHEMBL4754917 0.74 ALDH1A1 (0.78) MRGPRX4MAPTALDH1A1MAPK1HTT
SCHEMBL29185186 0.73 NR4A2 (0.60) RXRARXRBRXRGNPC1RAB9A
SCHEMBL5176064 0.73 NPC1 (0.64) MRGPRX4MAPTALDH1A1RXRARXRB
SCHEMBL11651661 0.72 SCN9A (0.46) ALDH1A1NPC1RAB9ASCN9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MRGPRX4 3393/4885MAPT 1347/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MRGPRX4 3393/4885MAPT 1347/4885ALDH1A1 2723/4885

“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.