SCHEMBL2756208

SCHEMBL2756208

CCCCOCC(=O)Nc1cc(Br)cnc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK10 P53779 1/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PDE4A P27815 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL15713808 0.88 CNR2 (0.42) CNR2RAB9AALDH1A1HPGDNPC1
SCHEMBL6073329 0.80 ALDH1A1 (0.39) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL204489 0.76 ADORA3 (0.49) RAB9AALDH1A1NPC1POLBKDM4E
SCHEMBL6073629 0.74 ALDH1A1 (0.49) RAB9AALDH1A1HPGDPOLBKDM4E
SCHEMBL15713799 0.72 ALDH1A1 (0.38) ALDH1A1HPGDNPC1POLBKDM4E
SCHEMBL22490078 0.70 RAB9A (0.58) RAB9AALDH1A1HPGDNPC1POLB
SCHEMBL29527481 0.68 L3MBTL1 (0.51) CNR2RAB9AALDH1A1HPGDNPC1
SCHEMBL16505662 0.68 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL20266375 0.68 HPGD (0.48) ALDH1A1HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL30676150 0.68 HPGD (0.48) ALDH1A1HPGDKMT2ATSHRSMN1; SMN2

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 7 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-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
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 CNR2 2679/4885RAB9A 1213/4885ALDH1A1 787/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CNR2 1389/4885RAB9A 2799/4885ALDH1A1 800/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 CNR2 2184/4885RAB9A 1340/4885ALDH1A1 740/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CNR2 1389/4885RAB9A 2799/4885ALDH1A1 800/4885

“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.