SCHEMBL2961823

SCHEMBL2961823

CC(=O)Nc1cccc(-c2ccc(C)cc2N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
BRD4 O60885 1/20 0.53
USP7 Q93009 2/20 0.51
NQO2 P16083 2/20 0.50
KDM4E B2RXH2 1/20 0.48
FYN P06241 1/20 0.48
CYP1A2 P05177 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
MAP4K4 O95819 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL397621 0.84 ALDH1A1 (0.58) HSD17B10ALDH1A1NPC1RAB9ABRD4
SCHEMBL2965354 0.84 TDP1 (0.58) HSD17B10ALDH1A1NPC1RAB9ARXFP1
SCHEMBL14003396 0.82 HSD17B10 (0.63) HSD17B10ALDH1A1NPC1RAB9ARXFP1
SCHEMBL10223116 0.82 ALDH1A1 (0.50) HSD17B10ALDH1A1NPC1RAB9ABRD4
SCHEMBL13680541 0.80 HSD17B10 (0.79) HSD17B10ALDH1A1NPC1RAB9ARXFP1
SCHEMBL2964232 0.79 FBP1 (0.58) HSD17B10ALDH1A1NPC1RAB9ARXFP1
SCHEMBL12999591 0.79 NPC1 (0.69) HSD17B10ALDH1A1NPC1RAB9ARXFP1
SCHEMBL14003503 0.78 HSD17B10 (0.56) HSD17B10ALDH1A1NPC1RAB9ARXFP1
SCHEMBL1016291 0.77 ALDH1A1 (0.57) HSD17B10ALDH1A1NPC1RAB9ARXFP1
SCHEMBL30703669 0.76 HSD17B10 (1.00) HSD17B10ALDH1A1RAB9ARXFP1CYP1A2

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 7 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
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 2723/4885NPC1 37/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 HSD17B10 1572/4885ALDH1A1 2723/4885NPC1 37/4885

“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.