SCHEMBL2707288

SCHEMBL2707288

Cc1ccc(-c2coc(CBr)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 8/20 0.58
ENPP1 P22413 5/20 0.58
S1PR1 P21453 6/20 0.39
IRAK4 Q9NWZ3 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL203844 0.82 LTA4H (0.47) ENPP3ENPP1S1PR1NPC1RAB9A
SCHEMBL201772 0.81 AKR1B1 (0.43) ENPP3ENPP1MEN1ALDH1A1KMT2A
SCHEMBL15711822 0.79 ENPP3 (0.54) ENPP3ENPP1S1PR1
SCHEMBL12112408 0.75 ENPP3 (0.96) ENPP3ENPP1MEN1KMT2A
SCHEMBL13827167 0.74 ENPP3 (0.49) ENPP3ENPP1S1PR1KDM4EMEN1
SCHEMBL8748085 0.73 ENPP3 (0.66) ENPP3ENPP1S1PR1KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL28862464 0.73 ENPP3 (0.92) ENPP3ENPP1KDM4EMEN1ALDH1A1
SCHEMBL9006892 0.73 ENPP3 (0.66) ENPP3ENPP1S1PR1KDM4EALDH1A1
SCHEMBL2707290 0.72 ENPP3 (0.53) ENPP3ENPP1S1PR1KDM4EMEN1
SCHEMBL15711821 0.72 ENPP3 (0.46) ENPP3ENPP1S1PR1KDM4EMEN1

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-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

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 ENPP3 3522/4885ENPP1 2295/4885S1PR1 776/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ENPP3 3044/4885ENPP1 2146/4885S1PR1 405/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 ENPP3 3086/4885ENPP1 1830/4885S1PR1 993/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ENPP3 3044/4885ENPP1 2146/4885S1PR1 405/4885

“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.