SCHEMBL2705942

SCHEMBL2705942

Cc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.38
PPARG P37231 2/20 0.36
NCK1 P16333 1/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
CSF1R P07333 1/20 0.34
CYP1A2 P05177 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL2707218 0.92 CYSLTR1 (0.39) CYSLTR1CYSLTR2MRGPRX4PPARGFFAR1
SCHEMBL2705947 0.88 MRGPRX4 (0.41) MRGPRX4CYP1A2
SCHEMBL2707204 0.87 KDM4E (0.42) CYSLTR1CYSLTR2PPARGKDM4EFFAR1
SCHEMBL202543 0.84 GPBAR1 (0.48) CYSLTR1CYSLTR2FFAR1GPBAR1
SCHEMBL2704592 0.82 MRGPRX4 (0.41) CYSLTR1CYSLTR2MRGPRX4CYP1A2
SCHEMBL2706569 0.82 HPGDS (0.43) CYSLTR1CYSLTR2PPARGGPBAR1
SCHEMBL2705627 0.80 MRGPRX4 (0.40) CYSLTR1CYSLTR2MRGPRX4PPARGGPBAR1
SCHEMBL204150 0.79 NPC1 (0.46)
SCHEMBL202962 0.79 MAPT (0.45) MRGPRX4KDM4ECYP1A2
SCHEMBL202189 0.78 MRGPRX4 (0.42) MRGPRX4FFAR1CYP1A2

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 15 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-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
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-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-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 CYSLTR1 1752/4885CYSLTR2 2337/4885HSD17B14 3664/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CYSLTR1 1257/4885CYSLTR2 1644/4885HSD17B14 2873/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 CYSLTR1 1641/4885CYSLTR2 2130/4885HSD17B14 3655/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CYSLTR1 1257/4885CYSLTR2 1644/4885HSD17B14 2873/4885

“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.