SCHEMBL3056784

SCHEMBL3056784

Cc1nn(-c2ccccc2)c(C)c1N=C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 2/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 5/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 3/20 0.45
PDE4D Q08499 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 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
SCHEMBL11119050 0.81 SMN1; SMN2 (0.56) SMN1; SMN2TDP1KDM4EPOLBAPEX1
SCHEMBL7314330 0.75 SMN1; SMN2 (0.56) SMN1; SMN2TDP1KDM4EPOLBAPEX1
SCHEMBL2453964 0.71 SMN1; SMN2 (0.66) SMN1; SMN2TDP1KDM4EPOLBAPEX1
SCHEMBL3059609 0.71 MAPK1 (0.50) SMN1; SMN2RAB9AMAPTNPC1HPGD
SCHEMBL1045012 0.70 KDM4E (0.35) SMN1; SMN2KDM4EHTTMAPTALDH1A1
SCHEMBL5655367 0.69 SMN1; SMN2 (0.68) SMN1; SMN2TDP1POLBHTTRAB9A
SCHEMBL11330176 0.68 SMN1; SMN2 (0.61) SMN1; SMN2TDP1KDM4EPOLBAPEX1
SCHEMBL6966371 0.68 SMN1; SMN2 (1.00) SMN1; SMN2TDP1KDM4EPOLBAPEX1
SCHEMBL14495384 0.68 KDM4C (0.62) SMN1; SMN2TDP1KDM4EPOLBAPEX1
SCHEMBL13564632 0.68 SMN1; SMN2 (0.61) SMN1; SMN2TDP1KDM4EPOLBAPEX1

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 9 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
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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 (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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL SMN1; SMN2 2776/4885TDP1 2265/4885KDM4E 2068/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885TDP1 47/4885KDM4E 4164/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885TDP1 47/4885KDM4E 4164/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885TDP1 47/4885KDM4E 4164/4885

“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.