SCHEMBL2380020

SCHEMBL2380020

COc1cccc(OC)c1CNC(=N)NC(N)=S

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 4/20 0.38
HIF1A Q16665 1/20 0.38
ROCK2 O75116 1/20 0.37
PTPN1 P18031 1/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35
LMNA P02545 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2381142 0.84 KMT2A (0.52) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL4658256 0.81 HIF1A (0.43) ALDH1A1GAAHIF1AROCK2PTPN1
SCHEMBL6703863 0.78 HIF1A (0.46) ALDH1A1GAAKMT2AHIF1AROCK2
SCHEMBL5735467 0.77 HIF1A (0.40) ALDH1A1GAAKMT2AHIF1AROCK2
SCHEMBL2379469 0.75 HIF1A (0.39) ALDH1A1GAAHIF1AROCK2PTPN1
SCHEMBL2781208 0.72 ROCK2 (0.41) ALDH1A1GAAKMT2AHIF1AROCK2
SCHEMBL4657734 0.72 KDM1A (0.47) ALDH1A1KMT2AROCK2MEN1
SCHEMBL2780656 0.70 NPC1 (0.52) ALDH1A1GAAKMT2ALMNAMEN1
SCHEMBL2782719 0.70 KMT2A (0.49) KMT2ALMNAMEN1
SCHEMBL2380133 0.70 ROCK2 (0.41) ALDH1A1KMT2AHIF1AROCK2PTPN1

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 ALDH1A1 2830/4885GAA 1396/4885KMT2A 4155/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 ALDH1A1 3189/4885GAA 1468/4885KMT2A 4154/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 ALDH1A1 2830/4885GAA 1396/4885KMT2A 4155/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 ALDH1A1 2830/4885GAA 1396/4885KMT2A 4155/4885

“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.