SCHEMBL2379377

SCHEMBL2379377

COc1ccccc1CNC(=N)Nc1nnc(C)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.70
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2D6 P10635 1/20 0.53
TP53 P04637 1/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP2C19 P33261 2/20 0.51
GLS O94925 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GUSB P08236 1/20 0.43

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
SCHEMBL2425961 0.86 NPC1 (0.56) SMN1; SMN2NPC1RAB9ACYP2D6TP53
Acetic Acid SCHEMBL2381297 0.82 NPC1 (0.57) SMN1; SMN2NPC1RAB9ACYP2D6TP53
SCHEMBL2446393 0.82 NPC1 (0.55) SMN1; SMN2NPC1RAB9ACYP2D6POLB
SCHEMBL2381223 0.82 KMT2A (0.61) SMN1; SMN2NPC1RAB9ACYP2D6TP53
SCHEMBL2379519 0.80 POLB (0.55) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL2379500 0.79 NPC1 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2378260 0.78 GAA (0.55) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL2447724 0.78 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APOLBMEN1
Hydrochloric Acid SCHEMBL2381238 0.77 GAA (0.54) SMN1; SMN2NPC1RAB9ACYP2D6POLB
SCHEMBL2421008 0.77 CSNK1D (0.71) SMN1; SMN2NPC1RAB9ATP53POLB

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 SMN1; SMN2 1082/4885NPC1 2968/4885RAB9A 1420/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 SMN1; SMN2 1033/4885NPC1 3179/4885RAB9A 1428/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 SMN1; SMN2 1082/4885NPC1 2968/4885RAB9A 1420/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 SMN1; SMN2 1082/4885NPC1 2968/4885RAB9A 1420/4885

“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.