SCHEMBL3045395

SCHEMBL3045395

CNC(=O)c1cccc(Sc2ccc(C)cc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TP53 P04637 2/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
KIF11 P52732 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3044222 0.85 PARP1 (0.54) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2968868 0.85 MAPT (0.63) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2968903 0.82 ALDH1A1 (0.48) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2961437 0.80 SLC6A2 (0.64) MAPTALDH1A1L3MBTL1LMNASLC6A2
SCHEMBL810304 0.78 SLC6A4 (0.53) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8736784 0.78 HDAC8 (0.49) MAPTHPGDL3MBTL1HSD17B10HDAC8
SCHEMBL2961977 0.76 HSD17B10 (0.55) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL621362 0.76 HDAC8 (0.50) MAPTALDH1A1HPGDMAPK1HSD17B10
SCHEMBL810592 0.76 ALOX15 (0.52) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL15217740 0.73 HDAC8 (0.61) KDM4EALDH1A1HPGDL3MBTL1HSD17B10

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 MAPT 1347/4885KDM4E 1822/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885KDM4E 1822/4885ALDH1A1 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.