SCHEMBL149599

SCHEMBL149599

OB(O)C1CC1c1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.58
HTR2A P28223 5/20 0.50
HTR2C P28335 5/20 0.50
HTR2B P41595 5/20 0.50
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
RCOR1 Q9UKL0 3/20 0.40
HDAC4 P56524 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL29957178 0.79 HTR2C (0.50) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL29954593 0.79 HTR2A (0.51) KDM1AHTR2AHTR2CHTR2BSLC6A4
SCHEMBL1722128 0.77 MAOB (0.48) KDM1AHTR2AHTR2CHTR2BSLC6A3
SCHEMBL29954166 0.77 MAOB (0.48) KDM1AHTR2AHTR2CHTR2BSLC6A3
SCHEMBL1781688 0.77 MAOB (0.48) KDM1AHTR2AHTR2CHTR2BSLC6A3
SCHEMBL29955006 0.75 HTR2C (0.55) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL15096161 0.73 KDM1A (1.00) KDM1AHTR2AHTR2CHTR2BSLC6A3
SCHEMBL20187237 0.73 KDM1A (1.00) KDM1AHTR2AHTR2CHTR2BSLC6A3
SCHEMBL8329871 0.73 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BSLC6A4
SCHEMBL8329869 0.73 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BSLC6A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732102-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-08-15 US disclosed
US-20170002026-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-01-05 US disclosed
US-9328127-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-03 US disclosed
EP-2181103-B1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS UNIV ILLINOIS (US) 2015-08-05 EP disclosed
CN-101754959-B System for controlling reactivity of boronic acids UNIV ILLINOIS 2014-05-14 CN disclosed
US-20130296573-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-11-07 US disclosed
US-8318983-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-11-27 US disclosed
US-20120059184-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-03-08 US disclosed
US-8013203-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-06 US disclosed
CN-101754959-A The system of control acid reaction UNIV ILLINOIS 2010-06-23 CN disclosed
EP-2181103-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS The Board Of Trustees Of The University Of Illinois (US) 2010-05-05 EP disclosed
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-29 US disclosed
WO-2009014550-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2009-01-29 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-20170002026-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 KDM1A 4064/4885HTR2A 4586/4885HTR2C 4528/4885
US-20120059184-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 KDM1A 4064/4885HTR2A 4586/4885HTR2C 4528/4885
US-20130296573-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 KDM1A 4064/4885HTR2A 4586/4885HTR2C 4528/4885
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS ORC3, BRS3, OSBPL3 KDM1A 4064/4885HTR2A 4586/4885HTR2C 4528/4885

“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.