SCHEMBL16631031

SCHEMBL16631031

O=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCC(C2CCNCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.60
CHEK2 O96017 8/20 0.57
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HPGD P15428 4/20 0.52
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
ACACB O00763 2/20 0.51
ACACA Q13085 1/20 0.51
PLAU P00749 1/20 0.50
PRSS1 P07477 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL16619621 0.87 HTR2B (0.60) CHEK2HPGDHTR2B
SCHEMBL21843704 0.84 HPGD (0.70) MGLLCHEK2HDAC3HDAC1HDAC8
SCHEMBL16619560 0.83 MGLL (0.65) MGLLCHEK2HDAC3HDAC1HDAC8
SCHEMBL20765842 0.81 HPGD (0.59) MGLLCHEK2HPGDHTR2B
SCHEMBL20765507 0.79 CHEK2 (0.58) MGLLCHEK2HPGDBCHEACHE
SCHEMBL16620020 0.78 ALB (0.61) MGLLCHEK2HDAC3HDAC1HDAC8
SCHEMBL19970784 0.76 MGLL (0.59) MGLLCHEK2HDAC3HDAC1HDAC8
SCHEMBL20765523 0.76 MGLL (0.58) MGLLCHEK2HDAC3HDAC1HDAC8
SCHEMBL20765497 0.75 MGLL (0.58) MGLLCHEK2HDAC3HDAC1HDAC8
SCHEMBL3178116 0.75 CHEK2 (0.78) CHEK2HDAC3HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938243-B2 Compounds for affinity chromatography and for extending the half-life of a therapeutic agent GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-10 US disclosed
US-9809558-B2 Compounds for affinity chromatography and for extending the half-life of a therapeutic agent GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-07 US disclosed
US-20160221962-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-08-04 US disclosed
WO-2015049651-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-09 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 (1 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-20160221962-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT ALB, HDGF, VEGFA MGLL 3420/4885CHEK2 4260/4885HDAC3 3958/4885

“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.