SCHEMBL1793161

SCHEMBL1793161

c1ccc(CNN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
IDO1 P14902 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AOC3 Q16853 1/20 0.43
ALOX12 P18054 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL1348045 1.00 ALDH1A1 (0.46) ALDH1A1IDO1MEN1KMT2ATHRB
SCHEMBL17178604 0.87 TSHR (0.47) ALDH1A1IDO1MEN1KMT2ATHRB
SCHEMBL8854666 0.81 CYP3A4 (0.50) ALDH1A1IDO1MEN1KMT2ATHRB
SCHEMBL8054542 0.80 NPC1 (0.39) ALDH1A1IDO1THRBTSHRTDP1
SCHEMBL1685439 0.79 TSHR (0.50) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL8215112 0.77 TSHR (0.54) ALDH1A1IDO1MEN1KMT2ATHRB
SCHEMBL7097046 0.77 IDO1 (0.48) ALDH1A1IDO1MEN1KMT2ATHRB
SCHEMBL12286877 0.77 AOC3 (0.50) ALDH1A1IDO1MEN1KMT2ATHRB
SCHEMBL28652733 0.77 ALDH1A1 (0.52) ALDH1A1IDO1MEN1KMT2ATHRB
SCHEMBL7776615 0.76 MMP8 (0.38) ALDH1A1IDO1MEN1KMT2ATHRB

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 29 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-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 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-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 (6 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 ALDH1A1 470/4885IDO1 1747/4885MEN1 1493/4885
US-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF CXCR4, CXCR1, CXCL12 ALDH1A1 403/4885IDO1 1559/4885MEN1 2268/4885
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 ALDH1A1 793/4885IDO1 1862/4885MEN1 3160/4885
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 ALDH1A1 274/4885IDO1 1791/4885MEN1 2059/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 ALDH1A1 328/4885IDO1 1699/4885MEN1 2513/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 ALDH1A1 334/4885IDO1 531/4885MEN1 2163/4885

“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.