SCHEMBL2705652

SCHEMBL2705652

NC(=O)c1c(F)ccc(OCc2csc(-c3cccs3)n2)c1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
KDM4E B2RXH2 17/20 0.46
RAB9A P51151 7/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 7/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 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
SCHEMBL204397 0.85 SMN1; SMN2 (0.50) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL2707292 0.83 RAB9A (0.46) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL2707295 0.83 LMNA (0.51) KDM4ELMNAMAPTALDH1A1POLB
SCHEMBL2756171 0.82 SLC6A4 (0.53) SLC6A4KDM4ERAB9ALMNAMAPT
SCHEMBL2706142 0.82 SCN9A (0.53) LMNAPOLB
SCHEMBL2705785 0.81 KDM4E (0.45) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL2706593 0.81 HDAC1 (0.41) SLC6A4KDM4ERAB9ALMNAMAPT
SCHEMBL204223 0.81 LMNA (0.48) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL2316056 0.81 ALDH1A1 (0.52) KDM4ERAB9ALMNAMAPTALDH1A1
SCHEMBL200936 0.80 HTR2A (0.43) SLC6A4KDM4ERAB9ALMNAMAPT

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 6 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-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

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-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SLC6A4 4329/4885KDM4E 2407/4885RAB9A 2799/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 SLC6A4 4787/4885KDM4E 1251/4885RAB9A 1340/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SLC6A4 4329/4885KDM4E 2407/4885RAB9A 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.