SCHEMBL2450558

SCHEMBL2450558

COc1cccc(OC)c1CNC(=N)Nc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.56
RAB9A P51151 9/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.56
PAX8 Q06710 1/20 0.56
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
KLF5 Q13887 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DHODH Q02127 1/20 0.47
SCD O00767 1/20 0.47
ADORA1 P30542 1/20 0.47
DYRK1A Q13627 1/20 0.47
MAPT P10636 3/20 0.46
CSNK1D P48730 3/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL2379500 0.88 NPC1 (0.56) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL2423252 0.87 CSNK1D (0.60) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL2420475 0.85 CSNK1D (0.46) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL2449599 0.85 SAE1 (0.55) NPC1RAB9AL3MBTL1PKMPAX8
Bromide SCHEMBL2379539 0.85 SAE1 (0.55) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL2426475 0.82 NPC1 (0.47) NPC1RAB9AKDM4EALDH1A1MEN1
Fumaric Acid SCHEMBL2379209 0.80 CSNK1D (0.58) NPC1RAB9AL3MBTL1KDM4EALDH1A1
Fumaric Acid SCHEMBL2380245 0.79 CSNK1D (0.45) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL2448850 0.79 ALOX5 (0.54) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL2449273 0.78 ROCK2 (0.41) RAB9AL3MBTL1PAX8KDM4EALDH1A1

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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1420/4885L3MBTL1 2611/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 NPC1 3179/4885RAB9A 1428/4885L3MBTL1 2774/4885

“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.