SCHEMBL4567017

SCHEMBL4567017

NC(=O)c1c(F)ccc(OCc2nc3cc(-c4cccc(CO)c4)ccc3s2)c1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.37
LIPG Q9Y5X9 2/20 0.37
PTGER4 P35408 1/20 0.37
EPHX2 P34913 2/20 0.36
ALOX5 P09917 1/20 0.36
PTGES O14684 1/20 0.36
FYN P06241 1/20 0.36
ROCK2 O75116 3/20 0.36
PI4K2A Q9BTU6 1/20 0.36

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
SCHEMBL202904 0.91 NPC1 (0.45) NPC1RAB9AMEN1KMT2AHDAC6
SCHEMBL2704597 0.90 NPC1 (0.48) NPC1RAB9AMEN1KMT2AHDAC6
SCHEMBL2706609 0.88 NPC1 (0.43) NPC1RAB9AMEN1KMT2AF9
SCHEMBL201165 0.87 NPC1 (0.44) NPC1RAB9AMEN1KMT2AHDAC6
SCHEMBL201522 0.87 NPC1 (0.42) NPC1RAB9AF9F10FFAR1
SCHEMBL2707226 0.86 EPHX2 (0.44) NPC1RAB9AHDAC6PPARDEPHX2
SCHEMBL201932 0.85 NPC1 (0.43) NPC1RAB9AHDAC6F9F10
SCHEMBL4567016 0.85 RAB9A (0.43) NPC1RAB9AF9F10FFAR1
SCHEMBL201355 0.84 POLB (0.42) NPC1RAB9AMEN1HDAC6PPARD
SCHEMBL201051 0.83 NPC1 (0.45) NPC1RAB9AMEN1KMT2AHDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1213/4885MEN1 1037/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 NPC1 1400/4885RAB9A 2799/4885MEN1 678/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 NPC1 1786/4885RAB9A 1340/4885MEN1 1027/4885

“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.