SCHEMBL3055112

SCHEMBL3055112

CC(=O)c1cccc(C(=O)N2CCN(c3nc(Cc4ccc(F)cc4)ns3)CC2)c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
NAAA Q02083 8/20 0.42
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 2/20 0.40
RUVBL1 Q9Y265 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
PANK3 Q9H999 1/20 0.39

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
SCHEMBL2003426 0.85 HTT (0.47) CNR1NAAAUSP2MAPK1SMN1; SMN2
SCHEMBL3055115 0.84 CNR1 (0.45) CNR1NAAAUSP2MAPK1SMN1; SMN2
SCHEMBL3063836 0.83 CNR1 (0.55) CNR1FAAHRUVBL1ALDH1A1
SCHEMBL2008943 0.81 FAAH (0.52) CNR1MAPK1SMN1; SMN2FAAHMAPT
SCHEMBL2005550 0.79 CNR1 (0.54) CNR1NAAASMN1; SMN2FAAHRUVBL1
SCHEMBL2009579 0.79 CNR1 (0.53) CNR1SMN1; SMN2RUVBL1CYP2C19
SCHEMBL2007046 0.79 CNR1 (0.53) CNR1SMN1; SMN2RUVBL1CYP2C19
SCHEMBL2008436 0.79 FAAH (0.52) SMN1; SMN2FAAHALDH1A1CYP1A2MAPT
SCHEMBL3060539 0.79 LMNA (0.49) USP2MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3065602 0.78 MAPT (0.44) CNR1NAAAUSP2MAPK1SMN1; SMN2

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 CNR1 3782/4885NAAA 3714/4885USP2 1803/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885NAAA 3714/4885USP2 1803/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885NAAA 3714/4885USP2 1803/4885

“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.