SCHEMBL1795317

SCHEMBL1795317

CCCCCCC[N]C(N)=NCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.54
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
NAAA Q02083 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SLC2A1 P11166 2/20 0.40
NOS1 P29475 1/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL1796037 1.00 MEN1 (0.64) MEN1KMT2ALMNAPRSS1PRSS2
SCHEMBL1792842 1.00 MEN1 (0.64) MEN1KMT2ALMNAPRSS1PRSS2
SCHEMBL1793913 0.98 MEN1 (0.60) MEN1KMT2ALMNAPRSS1PRSS2
SCHEMBL1793108 0.91 LMNA (0.64) MEN1KMT2ALMNAPRSS1PRSS2
SCHEMBL912826 0.80 MEN1 (0.61) MEN1KMT2ALMNAPRSS1PRSS2
Polihexanide SCHEMBL29352776 0.80 LMNA (0.83) MEN1KMT2ALMNAPRSS1PRSS2
Polihexanide SCHEMBL20753163 0.80 LMNA (0.83) MEN1KMT2ALMNAPRSS1PRSS2
SCHEMBL9059096 0.79 LMNA (0.50) MEN1KMT2ALMNASIGMAR1GRIN2D
SCHEMBL9059396 0.79 MEN1 (0.60) MEN1KMT2ALMNAPRSS1PRSS2
Hydrochloric Acid SCHEMBL21494278 0.78 LMNA (0.80) MEN1KMT2ALMNAPRSS1PRSS2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
US-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 EP disclosed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 EP disclosed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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 (5 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 MEN1 1493/4885KMT2A 3189/4885LMNA 3993/4885
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 MEN1 3160/4885KMT2A 3667/4885LMNA 4789/4885
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 MEN1 2059/4885KMT2A 4124/4885LMNA 4454/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 MEN1 2513/4885KMT2A 3385/4885LMNA 4671/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 MEN1 2163/4885KMT2A 3544/4885LMNA 4419/4885

“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.