SCHEMBL2379775

SCHEMBL2379775

COc1cccc(OC)c1CNC(=Nc1nc(C)c(C)o1)NOC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.40
STAT6 P42226 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 6/20 0.37
ROCK2 O75116 1/20 0.37
KLKB1 P03952 1/20 0.37
NPC1 O15118 2/20 0.37
PSMD14 O00487 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.35
HPGD P15428 1/20 0.35
ADORA2B P29275 1/20 0.34

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
SCHEMBL2379037 0.83 ROCK2 (0.39) HIF1ASTAT6HTTSMN1; SMN2NPSR1
SCHEMBL2451190 0.82 NPC1 (0.43) HIF1ASTAT6HTTSMN1; SMN2NPSR1
SCHEMBL2782771 0.77 PLAU (0.41) ADORA2AROCK2ADORA1
SCHEMBL2783653 0.77 ADRA2A (0.41) HIF1ASMN1; SMN2NPSR1ADORA2AROCK2
SCHEMBL2779067 0.76 PLAU (0.42) SMN1; SMN2ADORA2AROCK2NPC1LMNA
SCHEMBL2781809 0.76 MAPK1 (0.39) HIF1AHTTSMN1; SMN2ADORA2AROCK2
SCHEMBL2782915 0.76 MEN1 (0.44) HIF1ASTAT6HTTSMN1; SMN2NPSR1
SCHEMBL2381520 0.76 ROCK2 (0.40) HIF1AHTTSMN1; SMN2ADORA2AROCK2
SCHEMBL2378385 0.75 ROCK2 (0.39) HIF1AROCK2MEN1KMT2AALDH1A1
SCHEMBL2780293 0.74 KDM4E (0.43) HTTSMN1; SMN2ROCK2NPC1LMNA

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
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
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
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
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 HIF1A 4504/4885STAT6 4505/4885HTT 108/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 HIF1A 4472/4885STAT6 4460/4885HTT 121/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 HIF1A 4504/4885STAT6 4505/4885HTT 108/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 HIF1A 4504/4885STAT6 4505/4885HTT 108/4885

“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.