SCHEMBL2379867

SCHEMBL2379867

COc1ccccc1CNC(=Nc1nnc[nH]1)NOC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RCE1 Q9Y256 1/20 0.42
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
QPCT Q16769 1/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 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
SCHEMBL2378385 0.89 ROCK2 (0.39) KMT2AMEN1ALDH1A1HDAC1
SCHEMBL2383720 0.85 MEN1 (0.46) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2420876 0.82 NPSR1 (0.44) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2379170 0.81 KMT2A (0.46) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2783291 0.80 POLB (0.48) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2780364 0.78 HTT (0.47) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2779554 0.78 MEN1 (0.57) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2781124 0.76 POLB (0.50) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2381304 0.76 KMT2A (0.47) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL2778983 0.76 POLB (0.44) KMT2AMEN1NPC1RAB9AHPGD

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 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.