SCHEMBL4935859

SCHEMBL4935859

CC(=O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGDS O60760 1/20 0.50
KCNJ1 P48048 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
KCNH2 Q12809 1/20 0.49
HDAC2 Q92769 6/20 0.48
HDAC3 O15379 4/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLD1 Q13393 1/20 0.46
UBE2T Q9NPD8 1/20 0.45

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
SCHEMBL5238314 0.94 UBE2T (0.48) MAPTSMN1; SMN2HPGDSKCNJ1HRH3
SCHEMBL1896186 0.86 KCNH2 (0.53) HPGDSHRH3KCNH2HDAC2HDAC3
SCHEMBL23929985 0.85 UBE2T (0.61) MAPTSMN1; SMN2HPGDSKCNJ1HRH3
SCHEMBL30175332 0.85 UBE2T (0.61) MAPTSMN1; SMN2HPGDSKCNJ1HRH3
SCHEMBL25022813 0.85 UBE2T (0.57) MAPTSMN1; SMN2KCNJ1HRH3ALDH1A1
Hydrochloric Acid SCHEMBL31552815 0.84 KCNH2 (0.52) HPGDSHRH3KCNH2HDAC2HDAC3
SCHEMBL7550033 0.84 KCNH2 (0.52) HPGDSHRH3KCNH2HDAC2HDAC3
SCHEMBL29524173 0.84 PARP1 (0.53) HPGDSHRH3KCNH2HDAC2HDAC3
SCHEMBL7547417 0.84 KCNH2 (0.52) HPGDSHRH3KCNH2HDAC2HDAC3
SCHEMBL2706925 0.84 PARP1 (0.53) HPGDSHRH3KCNH2HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995078-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2021-05-04 US disclosed
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2020-11-05 US disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 US disclosed
US-9078896-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2015-07-14 US disclosed
US-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2014-05-15 US disclosed
US-8664223-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V (BE) 2014-03-04 US disclosed
US-20130143898-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-06 US disclosed
US-8114876-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-8101616-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BG) 2012-01-24 US disclosed
US-7834011-B2 Heterocyclylalkyl derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-16 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
EP-1858869-A1 ACYLATED PIPERIDINES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
EP-1858868-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
EP-1856077-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-21 EP disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094840-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094840-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-09-14 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 (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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 MAPT 441/4885SMN1; SMN2 3532/4885HPGDS 2575/4885
US-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase HDAC1, HDAC11, HDAC3 MAPT 2987/4885SMN1; SMN2 4045/4885HPGDS 893/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA MAPT 3831/4885SMN1; SMN2 4607/4885HPGDS 2344/4885
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD MAPT 3053/4885SMN1; SMN2 1719/4885HPGDS 959/4885
US-10995078-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD MAPT 3053/4885SMN1; SMN2 1719/4885HPGDS 959/4885
US-20130143898-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MAPT 2987/4885SMN1; SMN2 4045/4885HPGDS 893/4885

“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.