SCHEMBL2961391

SCHEMBL2961391

CC(=O)Nc1ccccc1Sc1ccc(C)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.52
SLC6A3 Q01959 6/20 0.52
SLC6A2 P23975 6/20 0.52
TDP1 Q9NUW8 3/20 0.49
PDE7A Q13946 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.44
BLM P54132 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL17777979 0.86 KMT2A (0.57) SLC6A4TDP1PDE7AKMT2AL3MBTL1
SCHEMBL10431594 0.82 ALDH1A1 (0.59) TDP1PDE7AKMT2AL3MBTL1ALDH1A1
SCHEMBL2960602 0.79 PDE7A (0.65) SLC6A4SLC6A3SLC6A2PDE7AKMT2A
SCHEMBL811377 0.76 ALDH1A1 (0.56) TDP1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL2961977 0.76 HSD17B10 (0.55) SLC6A4SLC6A3SLC6A2TDP1KMT2A
SCHEMBL2964246 0.76 HDAC1 (0.47) SLC6A4SLC6A3SLC6A2TDP1KMT2A
SCHEMBL14723137 0.75 L3MBTL1 (0.52) SLC6A4TDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL3195118 0.75 KDM4E (0.71) SLC6A4SLC6A3SLC6A2TDP1ALDH1A1
SCHEMBL9509772 0.75 NPC1 (0.55) TDP1KMT2AALDH1A1HPGDTP53
SCHEMBL9860403 0.75 ALDH1A1 (0.54) SLC6A4SLC6A3SLC6A2TDP1L3MBTL1

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 9 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
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN 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 SLC6A4 4037/4885SLC6A3 3970/4885SLC6A2 4033/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SLC6A4 4037/4885SLC6A3 3970/4885SLC6A2 4033/4885

“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.