SCHEMBL1544091

SCHEMBL1544091

CCn1c(SC)nnc1-c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
TSHR P16473 5/20 0.67
LMNA P02545 4/20 0.67
HTT P42858 1/20 0.67
HSD17B10 Q99714 3/20 0.61
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
RAB9A P51151 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
USP2 O75604 1/20 0.57
MAPT P10636 4/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 2/20 0.54

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
SCHEMBL6249724 0.86 LMNA (0.65) KDM4ETSHRLMNAHTTHSD17B10
SCHEMBL6247006 0.81 KDM4E (1.00) KDM4ETSHRLMNAHSD17B10ALDH1A1
SCHEMBL4209449 0.80 TSHR (1.00) KDM4ETSHRLMNAHTTHSD17B10
SCHEMBL17298058 0.79 KDM4E (0.69) KDM4ETSHRLMNAHTTHSD17B10
SCHEMBL4206412 0.79 TSHR (0.83) KDM4ETSHRLMNAHTTHSD17B10
SCHEMBL22019391 0.78 ALDH1A1 (0.74) KDM4ETSHRLMNAHTTHSD17B10
SCHEMBL1544901 0.78 LMNA (0.55) KDM4ETSHRLMNAHTTHSD17B10
SCHEMBL22019403 0.77 ALDH1A1 (0.60) KDM4ETSHRLMNAHTTHSD17B10
SCHEMBL4212106 0.77 TSHR (0.76) TSHRLMNAHTTHSD17B10ALDH1A1
SCHEMBL4213467 0.77 TSHR (0.80) TSHRLMNAHTTHSD17B10ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO 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 (7 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 KDM4E 3749/4885TSHR 4088/4885LMNA 900/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KDM4E 3036/4885TSHR 895/4885LMNA 4509/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KDM4E 2969/4885TSHR 847/4885LMNA 4539/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KDM4E 3036/4885TSHR 895/4885LMNA 4509/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KDM4E 3036/4885TSHR 895/4885LMNA 4509/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KDM4E 3036/4885TSHR 895/4885LMNA 4509/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KDM4E 3036/4885TSHR 895/4885LMNA 4509/4885

“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.