SCHEMBL2961977

SCHEMBL2961977

CC(=O)Nc1cccc(Sc2ccc(C)cc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.44
KDR P35968 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL811377 0.85 ALDH1A1 (0.56) HSD17B10ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2962034 0.81 KDM4E (0.55) HSD17B10ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2963623 0.80 MAPT (0.54) HSD17B10ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL13836493 0.80 ALDH1A1 (0.61) HSD17B10ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL2964246 0.79 HDAC1 (0.47) HSD17B10ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL810304 0.78 SLC6A4 (0.53) HSD17B10ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2968585 0.77 ALDH1A1 (0.55) HSD17B10ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL3044222 0.77 PARP1 (0.54) HSD17B10ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL2968488 0.76 HDAC1 (0.41) HSD17B10ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3045395 0.76 MAPT (0.49) HSD17B10ALDH1A1MAPTL3MBTL1LMNA

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 HSD17B10 1572/4885ALDH1A1 2723/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 HSD17B10 1572/4885ALDH1A1 2723/4885MAPT 1347/4885

“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.