SCHEMBL403465

SCHEMBL403465

Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(Br)c4ccccc34)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.37
COMT P21964 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 7/20 0.34
NPC1 O15118 6/20 0.34
CKS1B P61024 1/20 0.34
SKP2 Q13309 1/20 0.34
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL12785886 0.92 ALDH1A1 (0.41) KDM4ENPSR1MAPK1ALDH1A1RAB9A
SCHEMBL12832127 0.87 ALDH1A1 (0.42) HPRT1COMTHPGDKDM4EPPARG
SCHEMBL12785900 0.87 CYP1A2 (0.36) KDM4EMAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL13752179 0.85 COMT (0.45) COMTHPGDKDM4EPPARGNCOA2
SCHEMBL10041934 0.84 CYP1A2 (0.42) HPRT1COMTHPGDKDM4EALDH1A1
SCHEMBL401706 0.84 CYP1A2 (0.42) HPRT1COMTHPGDKDM4EALDH1A1
SCHEMBL12785825 0.84 ALDH1A1 (0.48) KDM4EMAPK1ALDH1A1RAB9ANFKB1
SCHEMBL31026098 0.82 ALDH1A1 (0.50) NPSR1MAPK1ALDH1A1RAB9ANPC1
SCHEMBL10136265 0.82 ALDH1A1 (0.50) NPSR1MAPK1ALDH1A1RAB9ANPC1
SCHEMBL13658643 0.81 COMT (0.40) HPRT1COMTHPGDKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217674-B1 ELECTROACTIVE MATERIALS DU PONT (US) 2017-08-23 EP disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 US disclosed
US-20130193423-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-08-01 US disclosed
US-20130193423-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-08-01 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 US disclosed
WO-2009067419-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-28 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 (3 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-20120013245-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B HPRT1 2782/4885COMT 38/4885HPGD 2231/4885
US-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B HPRT1 2782/4885COMT 38/4885HPGD 2231/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B HPRT1 2782/4885COMT 38/4885HPGD 2231/4885

“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.