SCHEMBL2380643

SCHEMBL2380643

COc1cccc(-c2csc(NC(=N)NCc3c(OC)cccc3OC)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HTT P42858 2/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PAX8 Q06710 1/20 0.56
ATP4A P20648 2/20 0.53
ATP4B P51164 2/20 0.53
ROCK1 Q13464 2/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51
ROCK2 O75116 1/20 0.51
CSNK2A1 P68400 1/20 0.49
MAOA P21397 3/20 0.48
MAOB P27338 3/20 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
SCHEMBL2379112 0.90 RAB9A (0.53) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL2380592 0.89 ROCK2 (0.53) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL2446391 0.89 CYP1A1 (0.50) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL2382861 0.89 RAB9A (0.54) ALDH1A1NPC1RAB9AHSD17B10MEN1
SCHEMBL2443327 0.89 ABL1 (0.55) ALDH1A1NPC1RAB9AHTTHPGD
Bromide SCHEMBL2380478 0.88 ABL1 (0.54) ALDH1A1NPC1RAB9AHTTHPGD
Bromide SCHEMBL2378134 0.88 CYP1A1 (0.49) ALDH1A1NPC1RAB9AHTTHPGD
SCHEMBL2443677 0.88 NPC1 (0.54) ALDH1A1NPC1RAB9AHSD17B10MEN1
Bromide SCHEMBL2380827 0.87 NPC1 (0.53) ALDH1A1NPC1RAB9AHSD17B10MEN1
SCHEMBL9792754 0.87 ATP4A (0.64) ALDH1A1NPC1RAB9AHTTHPGD

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 ALDH1A1 2830/4885NPC1 2968/4885RAB9A 1420/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ALDH1A1 3189/4885NPC1 3179/4885RAB9A 1428/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ALDH1A1 2830/4885NPC1 2968/4885RAB9A 1420/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ALDH1A1 2830/4885NPC1 2968/4885RAB9A 1420/4885

“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.