SCHEMBL2380683

SCHEMBL2380683

NC(=S)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GFER P55789 1/20 0.61
ADORA3 P0DMS8 1/20 0.60
GSTO1 P78417 1/20 0.58
ALOX5 P09917 1/20 0.57
AMY1A P0DUB6 1/20 0.57
VCP P55072 1/20 0.57
STAT3 P40763 1/20 0.57
ELOVL1 Q9BW60 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 2/20 0.56
HCRTR1 O43613 1/20 0.56
KCNH2 Q12809 1/20 0.56
PARP1 P09874 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL3603436 0.84 MEN1 (0.61) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL1325353 0.84 MAPT (0.68) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL8684727 0.83 ABL1 (0.68) KMT2AMEN1MAPTSMN1; SMN2GSTO1
Bromide SCHEMBL7330009 0.83 MEN1 (0.59) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL3598628 0.81 MAPT (0.58) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL27431503 0.81 PTGS2 (0.66) KMT2AMEN1MAPTSMN1; SMN2ADORA3
SCHEMBL10921715 0.80 MAPT (0.72) KMT2AMEN1MAPTSMN1; SMN2ADORA3
SCHEMBL10813540 0.80 MAPT (0.88) KMT2AMEN1MAPTSMN1; SMN2ADORA3
SCHEMBL3823589 0.80 MAPT (0.72) KMT2AMEN1MAPTSMN1; SMN2ADORA3
SCHEMBL2379466 0.79 MAPT (0.80) KMT2AMEN1MAPTSMN1; SMN2STAT3

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 3513/4885MAPT 72/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 KMT2A 4154/4885MEN1 3516/4885MAPT 73/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 KMT2A 4155/4885MEN1 3513/4885MAPT 72/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 KMT2A 4155/4885MEN1 3513/4885MAPT 72/4885

“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.