SCHEMBL2705810

SCHEMBL2705810

Cc1nn(-c2ccccc2)nc1COc1ccc(F)c(C(N)=O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
LMNA P02545 4/20 0.46
PKM P14618 3/20 0.46
ADORA2A P29274 3/20 0.46
CYP3A4 P08684 2/20 0.46
MPO P05164 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
KAT2B Q92831 1/20 0.46
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL17274990 0.91 PTGER1 (0.38) KDM4ELMNAPKMADORA2ACYP3A4
SCHEMBL19285699 0.75 KDM1A (0.50) LMNAMAPTL3MBTL1PTGER1
SCHEMBL4640177 0.73 LMNA (0.49) KDM4ELMNAPKMADORA2ACYP3A4
SCHEMBL202189 0.71 MRGPRX4 (0.42) PTGER1
SCHEMBL19471110 0.70 MAPT (0.35) MAPTPTGER1
SCHEMBL2704607 0.70 MRGPRX4 (0.45) LMNAPTGER1MAOBMEN1KMT2A
SCHEMBL31609727 0.69 MAPK1 (0.46) LMNAALDH1A1TSHRTDP1MEN1
SCHEMBL202507 0.69 MRGPRX4 (0.53) LMNAMAOB
SCHEMBL2705638 0.69 LMNA (0.48) LMNA
SCHEMBL203215 0.68 ROCK2 (0.37) KDM4ELMNAKMT2A

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 14 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-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
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 KDM4E 819/4885LMNA 3250/4885PKM 3512/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 KDM4E 2407/4885LMNA 1817/4885PKM 3434/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 KDM4E 1251/4885LMNA 2877/4885PKM 3844/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 KDM4E 2407/4885LMNA 1817/4885PKM 3434/4885

“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.