SCHEMBL3598468

SCHEMBL3598468

[c]1cccc(-c2cn[nH]n2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 12/20 0.62
IDO1 P14902 10/20 0.62
KEAP1 Q14145 1/20 0.62
SIRT3 Q9NTG7 1/20 0.55
METAP1 P53582 1/20 0.48
NOTUM Q6P988 1/20 0.48

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
SCHEMBL1030506 0.78 METAP2 (0.63) METAP2IDO1KEAP1SIRT3METAP1
SCHEMBL8221447 0.77 METAP2 (1.00) METAP2IDO1KEAP1SIRT3METAP1
SCHEMBL8664138 0.75 METAP2 (0.95) METAP2IDO1KEAP1SIRT3METAP1
SCHEMBL297000 0.73 IDO1 (0.31) METAP2IDO1KEAP1
SCHEMBL294336 0.73 AKT2 (0.59) METAP2IDO1KEAP1
SCHEMBL1099384 0.72 ADH5 (0.53) IDO1
SCHEMBL610112 0.71 ALDH1A1 (0.33)
SCHEMBL29539786 0.71 METAP2 (1.00) METAP2IDO1KEAP1SIRT3METAP1
SCHEMBL28058540 0.71 METAP2 (1.00) METAP2IDO1KEAP1SIRT3METAP1
Methylamine SCHEMBL27801352 0.69 AKT2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
CN-101421234-A Is suitable for treating p-hydroxytryptamine 5HT6Heterocyclic aryl sulfones of receptor-modulated responsive disorders ABBOTT GMBH (DE) 2009-04-29 CN disclosed
CN-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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 (2 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A METAP2 778/4885IDO1 405/4885KEAP1 2464/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C METAP2 1094/4885IDO1 620/4885KEAP1 2740/4885

“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.