SCHEMBL2379337

SCHEMBL2379337

COc1cccc(OC)c1CN=C(N)Nc1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.55
RAB9A P51151 10/20 0.55
PKM P14618 3/20 0.55
HSP90AA1 P07900 1/20 0.55
PAX8 Q06710 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL2447104 0.89 NPC1 (0.61) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL2379326 0.76 RAB9A (0.56) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL2450562 0.75 NPC1 (0.55) NPC1RAB9APKMPAX8SMN1; SMN2
SCHEMBL6959632 0.74 RAB9A (0.57) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL2378982 0.72 RAB9A (0.59) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL2779637 0.71 ATP4A (0.43) LMNAKMT2AMEN1POLB
SCHEMBL2782766 0.71 ATP4A (0.41) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL15550757 0.71 NPC1 (1.00) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL30601616 0.71 NPC1 (1.00) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL2379472 0.71 P2RX7 (0.40) SMN1; SMN2KMT2AKDM4EUSP2

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 NPC1 2968/4885RAB9A 1420/4885PKM 1978/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 NPC1 3179/4885RAB9A 1428/4885PKM 2003/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 NPC1 2968/4885RAB9A 1420/4885PKM 1978/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 NPC1 2968/4885RAB9A 1420/4885PKM 1978/4885

“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.