SCHEMBL2380484

SCHEMBL2380484

COc1cc(F)ccc1-c1csc(NC(=N)NCc2c(OC)cccc2OC)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 4/20 0.45
RAB9A P51151 1/20 0.45
KCNH2 Q12809 1/20 0.44
AR P10275 1/20 0.43
MAPK1 P28482 1/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
AGER Q15109 2/20 0.42
TRPA1 O75762 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
VCP P55072 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2444278 0.93 NPC1 (0.54) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL2380400 0.93 MAPT (0.45) KMT2AMEN1NPC1MAPTRAB9A
Bromide SCHEMBL2380209 0.92 NPC1 (0.53) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL2381596 0.92 MAPT (0.44) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL2419027 0.92 KMT2A (0.52) KMT2AMEN1NPC1MAPTRAB9A
Bromide SCHEMBL5623476 0.91 KMT2A (0.51) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL2449265 0.89 ATP4A (0.53) KMT2AMEN1MAPTMAPK1ATP4A
SCHEMBL2446391 0.88 CYP1A1 (0.50) KMT2AMEN1NPC1RAB9AMAPK1
Bromide SCHEMBL2379076 0.88 ATP4A (0.55) KMT2AMEN1MAPTMAPK1ATP4A
Bromide SCHEMBL2378134 0.87 CYP1A1 (0.49) KMT2AMEN1NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 US 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 (4 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-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 KMT2A 4155/4885MEN1 3513/4885NPC1 2968/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 KMT2A 4154/4885MEN1 3516/4885NPC1 3179/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 KMT2A 4155/4885MEN1 3513/4885NPC1 2968/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 KMT2A 4155/4885MEN1 3513/4885NPC1 2968/4885

“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.