SCHEMBL203875

SCHEMBL203875

NC(=O)c1c(F)ccc(OCc2cn3ccccc3n2)c1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.52
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL27921582 0.83 KDM4E (0.53) KDM4ENPC1RAB9ALMNAMAPT
SCHEMBL14777184 0.76 NPC1 (0.54) KDM4ENPC1RAB9ALMNAMAPT
SCHEMBL202543 0.75 GPBAR1 (0.48) PDE10A
SCHEMBL23488102 0.75 KDM4E (0.80) KDM4ENPC1RAB9ALMNAMAPT
SCHEMBL2705990 0.74 FFAR1 (0.49) LMNAALDH1A1TSHRGAA
SCHEMBL202189 0.74 MRGPRX4 (0.42) PDE10A
SCHEMBL19285699 0.73 KDM1A (0.50) NPC1LMNAMAPTL3MBTL1HTT
SCHEMBL16212418 0.73 KDM4E (0.66) KDM4ENPC1RAB9ALMNAMAPT
SCHEMBL204397 0.72 SMN1; SMN2 (0.50) KDM4ENPC1RAB9ALMNAMAPT
SCHEMBL2316056 0.72 ALDH1A1 (0.52) KDM4ENPC1RAB9ALMNAMAPT

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
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-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
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
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 KDM4E 819/4885NPC1 2815/4885RAB9A 1213/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 KDM4E 2407/4885NPC1 1400/4885RAB9A 2799/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 KDM4E 1251/4885NPC1 1786/4885RAB9A 1340/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 KDM4E 2407/4885NPC1 1400/4885RAB9A 2799/4885

“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.

Send feedback