SCHEMBL2021283

SCHEMBL2021283

CC(=O)Nc1ccc(Sc2ccc(OCc3cccc(C)c3)cc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
NR1H4 Q96RI1 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP12 P39900 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2968592 0.90 MEN1 (0.51) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL2974015 0.89 MAOB (0.49) MAOBALDH1A1NPC1RAB9ASIRT2
SCHEMBL2964251 0.89 MTNR1A (0.48) MAOBKDM4EALDH1A1NPC1RAB9A
SCHEMBL2969127 0.86 MAOB (0.53) MAOBALDH1A1NPC1RAB9AMEN1
SCHEMBL810494 0.85 MAOB (0.48) MAOBKDM4EALDH1A1MMP12MAPT
SCHEMBL2963008 0.84 KDM4E (0.48) MAOBKDM4EALDH1A1NPC1RAB9A
SCHEMBL2964875 0.83 MEN1 (0.48) MAOBKDM4EALDH1A1TDP1NPC1
SCHEMBL2957105 0.82 MAPT (0.52) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL2960977 0.81 RAB9A (0.44) MAOBKDM4EALDH1A1TDP1NPC1
SCHEMBL2970843 0.80 KMT2A (0.50) KDM4EALDH1A1TDP1NPC1RAB9A

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-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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 (3 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885NR1H4 137/4885KDM4E 1822/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885NR1H4 137/4885KDM4E 1822/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885NR1H4 137/4885KDM4E 1822/4885

“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.