SCHEMBL2379112

SCHEMBL2379112

COc1ccc(-c2csc(NC(=N)NCc3c(OC)cccc3OC)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
TP53 P04637 3/20 0.52
MAPK1 P28482 3/20 0.52
GSTO1 P78417 1/20 0.51
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 3/20 0.51
PAX8 Q06710 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
APP P05067 1/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
TUBB4A P04350 1/20 0.49

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
SCHEMBL2381307 0.92 ROCK2 (0.49) RAB9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2382007 0.92 KMT2A (0.49) RAB9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2443677 0.92 NPC1 (0.54) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL2380592 0.91 ROCK2 (0.53) RAB9ASMN1; SMN2LMNAMEN1KMT2A
Bromide SCHEMBL2380827 0.91 NPC1 (0.53) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL2379292 0.91 ALOX5 (0.55) RAB9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2379696 0.90 ROCK1 (0.60) MEN1KMT2AALDH1A1MAPTROCK2
SCHEMBL2419431 0.90 ROCK2 (0.49) RAB9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2444262 0.90 ROCK1 (0.48) RAB9ASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2380643 0.90 ALDH1A1 (0.60) RAB9ASMN1; SMN2MEN1KMT2ANPC1

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 RAB9A 1420/4885SMN1; SMN2 1082/4885LMNA 2422/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 RAB9A 1428/4885SMN1; SMN2 1033/4885LMNA 2533/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 RAB9A 1420/4885SMN1; SMN2 1082/4885LMNA 2422/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 RAB9A 1420/4885SMN1; SMN2 1082/4885LMNA 2422/4885

“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.