SCHEMBL4099315

SCHEMBL4099315

Cl[Rh].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
LMNA P02545 4/20 0.62
CCR1 P32246 3/20 0.62
CCR5 P51681 3/20 0.62
CCR8 P51685 3/20 0.62
CYP1A2 P05177 2/20 0.62
METAP1 P53582 2/20 0.62
POLB P06746 1/20 0.62
BLM P54132 1/20 0.62
HIF1A Q16665 1/20 0.62
DOHH Q9BU89 1/20 0.62
P4HTM Q9NXG6 1/20 0.62
CYP2A6 P11509 1/20 0.59
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
TP53 P04637 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX15 P16050 2/20 0.52

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
SCHEMBL35754 0.95 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28062312 0.95 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29360780 0.95 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
Benzene SCHEMBL29224585 0.95 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6130763 0.93 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6130736 0.93 CYP2A6 (0.63) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28604443 0.93 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6130699 0.93 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
Bromide SCHEMBL15901958 0.92 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8
SCHEMBL608973 0.92 KDM4E (0.65) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493494-B2 Phosphinine oxide derivative and preparation method thereof KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2016-11-15 US claimed
US-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2015-12-03 US claimed
US-9073956-B1 Dihydro-1H-phosphole 1-oxide derivatives and preparation method thereof KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2015-07-07 US claimed
EP-1880236-B1 HIGH-RESOLUTION TRACKING OF INDUSTRIAL PROCESS MATERIALS USING TRACE INCORPORATION OF LUMINESCENT MARKERS DATATRACE DNA PTY LTD (AU) 2018-10-03 EP disclosed
US-9493494-B2 Phosphinine oxide derivative and preparation method thereof KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2016-11-15 US disclosed
US-20160258881-A1 HIGH-RESOLUTION TRACKING OF INDUSTRIAL PROCESS MATERIALS USING TRACE INCORPORATION OF LUMINESCENT MARKERS DATATRACE DNA PTY (AU) 2016-09-08 US disclosed
US-9361561-B2 High-resolution tracking of industrial process materials using trace incorporation of luminescent markers DATATRACE DNA PTY (AU) 2016-06-07 US disclosed
US-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2015-12-03 US disclosed
WO-2014184385-A1 IDENTIFIABLE AND DISTINGUISHABLE CABLE SHEATHING ZIRHLIOGLU KAYHAN (DE) 2014-11-20 WO disclosed
EP-1924347-B1 METHOD FOR DETERMINING THE DEGREE OF MIXING BETWEEN COMPONENTS IN A CONCRETE MIXING PROCESS DATATRACE DNA PTY LTD (AU) 2014-09-24 EP disclosed
WO-2013041106-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS 11CO FOR CARBONYLATION REACTIONS IN THE PREPARATION OF RADIOPHARMACEUTICALS FOR PET IMAGING AARHUS UNIVERSITET (DK) 2013-03-28 WO disclosed
US-8305573-B2 Method of monitoring and controlling of mixing processes DATATRACE DNA PTY LTD (AU) 2012-11-06 US disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 WO disclosed
US-20090303473-A1 Method of monitoring and controlling of mixing processes COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2009-12-10 US disclosed
US-20090084981-A1 High-resolution tracking of industrial process materials using trace incorporation of luminescent markers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-04-02 US disclosed
EP-1924347-A1 METHOD OF MONITORING AND CONTROLLING OF MIXING PROCESSES Commonweatlh Scientific and Industrial Reseach Organisation (AU) 2008-05-28 EP disclosed
EP-1880236-A1 HIGH-RESOLUTION TRACKING OF INDUSTRIAL PROCESS MATERIALS USING TRACE INCORPORATION OF LUMINESCENT MARKERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-01-23 EP disclosed
WO-2007022570-A1 METHOD OF MONITORING AND CONTROLLING OF MIXING PROCESSES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2007-03-01 WO disclosed
WO-2006119561-A1 HIGH-RESOLUTION TRACKING OF INDUSTRIAL PROCESS MATERIALS USING TRACE INCORPORATION OF LUMINESCENT MARKERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2006-11-16 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 (1 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-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF PHOSPHO1, PPIP5K2, ITPA KDM4E 2128/4885LMNA 4841/4885CCR1 4804/4885

“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.