SCHEMBL3064016

SCHEMBL3064016

Cc1nc(-c2cccc(C(=O)N3CCN(c4nc(Cc5ccccc5[N+](=O)[O-])ns4)CC3C)c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.39
RHOA P61586 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMO Q99835 4/20 0.36
NAAA Q02083 3/20 0.34
HTT P42858 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL3061041 0.84 GRM5 (0.40) KCNH2SMONAAAHTTL3MBTL1
SCHEMBL3057629 0.82 TACR3 (0.44) TACR3CYP1A2CYP3A4CYP2C9TACR2
SCHEMBL3050835 0.81 GSK3B (0.41) CYP1A2CYP2C9CYP2C19SMONAAA
SCHEMBL3060280 0.80 NAAA (0.39) NAAAALDH1A1LMNAMAPT
SCHEMBL3062098 0.80 TACR3 (0.40) TACR3KCNH2SMONAAAALDH1A1
SCHEMBL3063065 0.80 DGAT1 (0.39) TACR3TACR2TACR1KCNH2SMO
SCHEMBL3061169 0.80 FAAH (0.50) HTTALDH1A1LMNAMAPTGAA
SCHEMBL3064053 0.79 ALDH1A1 (0.42) NAAAALDH1A1KDM4EMAPTGAA
SCHEMBL3053676 0.77 SLC6A7 (0.36) SMONAAAMAPTGAA
SCHEMBL3060745 0.77 PDE5A (0.47) ALDH1A1

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 TACR3 368/4885RHOA 1083/4885CYP1A2 2850/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TACR3 368/4885RHOA 1083/4885CYP1A2 2850/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TACR3 368/4885RHOA 1083/4885CYP1A2 2850/4885

“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.