SCHEMBL204718

SCHEMBL204718

CCCc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
ADORA2A P29274 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 4/20 0.31
PCSK9 Q8NBP7 1/20 0.31
ALOX5 P09917 3/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL201511 0.86 NPC1 (0.37) NPC1RAB9A
SCHEMBL202304 0.84 NPC1 (0.39) NPC1RAB9ATNKS2MAPTPKM
SCHEMBL202491 0.83 PCSK9 (0.43) NPC1RAB9ATNKS2MAPTPKM
SCHEMBL2707355 0.83 NPC1 (0.38) NPC1RAB9ATNKS2MAPTPKM
SCHEMBL203165 0.80 NPC1 (0.43) NPC1RAB9AMAPTPKMSMN1; SMN2
SCHEMBL202801 0.80 NPC1 (0.47) NPC1RAB9AMAPTPKMSMN1; SMN2
SCHEMBL201488 0.80 NPC1 (0.43) NPC1RAB9ATNKS2MAPTPKM
SCHEMBL204150 0.79 NPC1 (0.46) NPC1RAB9AMAPTPKMSMN1; SMN2
SCHEMBL14421920 0.79 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL2707340 0.78 NPC1 (0.38) NPC1RAB9ATNKS2MAPTPKM

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-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 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 (5 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 NPC1 2815/4885RAB9A 1213/4885ADORA2A 4538/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885ADORA2A 4510/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 NPC1 1786/4885RAB9A 1340/4885ADORA2A 4518/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885ADORA2A 4510/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885ADORA2A 4510/4885

“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.