SCHEMBL2321732

SCHEMBL2321732

NC(=O)c1c(F)ccc(OCc2csc3ccccc23)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
JUN P05412 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAOB P27338 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL19285699 0.77 KDM1A (0.50) PARP10MAPTLMNAHTT
SCHEMBL2316902 0.75 AGXT (0.50) CYP2A6LMNAHTT
SCHEMBL14777071 0.75 DHFR (0.45) CYP2A6SMN1; SMN2MEN1KMT2APOLB
SCHEMBL204282 0.74 NPC1 (0.64) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2704607 0.74 MRGPRX4 (0.45) MEN1KMT2AMAOBPARP15PARP14
SCHEMBL202084 0.74 SLC1A3 (0.41) MAPK8POLBLMNAHTT
SCHEMBL201883 0.73 SLC1A3 (0.40) SMN1; SMN2MEN1KMT2APOLBPARP15
SCHEMBL12432971 0.72 TNKS2 (0.34) POLBCA2MAOBPARP15PARP14
SCHEMBL201521 0.71 PPARD (0.49) MEN1KMT2APOLBTAAR1MAPT
SCHEMBL204397 0.71 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN claimed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 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-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 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-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
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
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
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 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 (4 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 CYP2A6 1659/4885JUN 1454/4885MAPK8 2127/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CYP2A6 892/4885JUN 1669/4885MAPK8 2263/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 CYP2A6 1843/4885JUN 1509/4885MAPK8 2415/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CYP2A6 892/4885JUN 1669/4885MAPK8 2263/4885

“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.