SCHEMBL3417595

SCHEMBL3417595

Cc1ncccc1-c1n[nH]c(=S)n1C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
PKM P14618 1/20 0.64
KDM4E B2RXH2 8/20 0.57
GAA P10253 2/20 0.53
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
APOBEC3G Q9HC16 6/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL9222791 0.79 ALDH1A1 (0.71) ALDH1A1PKMKDM4EGAAHSD17B10
SCHEMBL8978544 0.78 ALDH1A1 (1.00) ALDH1A1PKMKDM4EGAAHSD17B10
SCHEMBL8978582 0.75 ALDH1A1 (0.71) ALDH1A1PKMKDM4EGAAHSD17B10
SCHEMBL13984004 0.75 ALDH1A1 (0.57) ALDH1A1PKMKDM4EGAAHSD17B10
SCHEMBL29728077 0.75 ALDH1A1 (0.71) ALDH1A1PKMKDM4EGAAHSD17B10
SCHEMBL8978571 0.73 ALDH1A1 (0.67) ALDH1A1PKMKDM4EGAAHSD17B10
SCHEMBL1545303 0.71 TDP1 (0.67) ALDH1A1KDM4EHSD17B10LMNAAPOBEC3G
SCHEMBL919250 0.70 HSD17B10 (0.73) ALDH1A1PKMKDM4EGAAHSD17B10
SCHEMBL3421959 0.70 MKNK1 (0.52) KDM4EGAALMNATSHRTDP1
SCHEMBL31469002 0.70 MKNK1 (0.52) KDM4EGAALMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007747-B1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
US-7838680-B2 Process for preparing heterocyclic derivatives GLAXO GROUP LIMITED (GB) 2010-11-23 US disclosed
US-20100048895-A1 Process for Preparing Heterocyclic Derivatives GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
US-20070232808-A1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
EP-1773844-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006002928-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-01-12 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-20100048895-A1 Process for Preparing Heterocyclic Derivatives HCAR3, CBR3, HRH4 ALDH1A1 2942/4885PKM 4445/4885KDM4E 4425/4885
US-20070232808-A1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES HCAR3, CBR3, NR4A3 ALDH1A1 2955/4885PKM 4546/4885KDM4E 4646/4885
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine DRD3, SLC6A3, DRD2 ALDH1A1 1007/4885PKM 2138/4885KDM4E 3815/4885

“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.