SCHEMBL5325898

SCHEMBL5325898

Clc1cccc2ccc3cccnc3c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
MMP2 P08253 2/20 0.58
TSHR P16473 2/20 0.58
CCR1 P32246 2/20 0.58
CCR8 P51685 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GMNN O75496 1/20 0.58
TP53 P04637 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
MMP8 P22894 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58
HTT P42858 1/20 0.58
MMP13 P45452 1/20 0.58

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
SCHEMBL31175945 1.00 LMNA (0.58) LMNAMMP2TSHRCCR1CCR8
SCHEMBL29358836 0.83 MMP2 (0.61) LMNAMMP2TSHRCCR1CCR8
SCHEMBL692866 0.83 MMP2 (0.61) LMNAMMP2TSHRCCR1CCR8
SCHEMBL31807285 0.83 LMNA (0.75) LMNAMMP2TSHRCCR1CCR8
SCHEMBL5675770 0.83 LMNA (0.75) LMNAMMP2TSHRCCR1CCR8
SCHEMBL4461988 0.81 MMP2 (0.58) LMNAMMP2TSHRCCR1CCR8
SCHEMBL10938107 0.81 MMP2 (0.58) LMNAMMP2TSHRCCR1CCR8
SCHEMBL1659447 0.78 LMNA (0.56) LMNAMMP2TSHRCCR1CCR8
SCHEMBL29596497 0.78 TSHR (0.68) LMNAMMP2TSHRCCR1CCR8
SCHEMBL29356100 0.78 LMNA (0.56) LMNAMMP2TSHRCCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
WO-2007147775-A1 PROCESS FOR SYNTHESIS OF AROMATIC COMPOUNDS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 WO disclosed
WO-2007123910-A2 COPPER-MEDIATED FUNCTIONALIZATION OF ARYL C-H BONDS, AND COMPOUNDS RELATED THERETO BRANDEIS UNIVERSITY (US) 2007-11-01 WO disclosed
WO-2007123910-A2 COPPER-MEDIATED FUNCTIONALIZATION OF ARYL C-H BONDS, AND COMPOUNDS RELATED THERETO BRANDEIS UNIVERSITY (US) 2007-11-01 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 (2 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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 LMNA 3565/4885MMP2 4198/4885TSHR 4066/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 LMNA 3454/4885MMP2 4195/4885TSHR 4068/4885

“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.