SCHEMBL3065974

SCHEMBL3065974

O=C(c1ccc(-n2cccn2)cc1)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SLC6A7 Q99884 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
USP7 Q93009 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41

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
SCHEMBL2008943 0.85 FAAH (0.52) SMN1; SMN2L3MBTL1SLC6A7MEN1KMT2A
SCHEMBL2008436 0.85 FAAH (0.52) SMN1; SMN2L3MBTL1SLC6A7MEN1KMT2A
SCHEMBL3060940 0.84 CNR1 (0.51) SLC6A7MEN1KMT2AKDM4ELMNA
SCHEMBL3051062 0.84 MGLL (0.50) SMN1; SMN2L3MBTL1SLC6A7MEN1KMT2A
SCHEMBL2009579 0.83 CNR1 (0.53) SMN1; SMN2L3MBTL1SLC6A7MEN1KMT2A
SCHEMBL2007046 0.83 CNR1 (0.53) SMN1; SMN2L3MBTL1SLC6A7MEN1KMT2A
SCHEMBL2002975 0.83 HSP90AA1 (0.57) L3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL3066822 0.81 PRKAA2 (0.47) SMN1; SMN2L3MBTL1SLC6A7MEN1KMT2A
SCHEMBL3066941 0.81 CNR1 (0.45) SMN1; SMN2L3MBTL1SLC6A7MEN1KMT2A
SCHEMBL2002840 0.81 MEN1 (0.47) SMN1; SMN2L3MBTL1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885L3MBTL1 791/4885SLC6A7 1889/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885L3MBTL1 791/4885SLC6A7 1889/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885L3MBTL1 791/4885SLC6A7 1889/4885

“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.