SCHEMBL3065968

SCHEMBL3065968

Cn1nc(C2CC2)cc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 4/20 0.46
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB5 P28074 1/20 0.45
CACNA1H O95180 1/20 0.45
PDK1 Q15118 3/20 0.41
PDK2 Q15119 3/20 0.41
RAF1 P04049 3/20 0.36
BRAF P15056 3/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33

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
SCHEMBL17454397 0.84 PSMB8 (0.46) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL2215374 0.84 KDM4E (0.50) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL4072006 0.83 PSMB8 (0.45) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL17452576 0.80 PSMB8 (0.49) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL19902353 0.80 PSMB8 (0.46) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL15273648 0.80 PSMB8 (0.46) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL11899894 0.78 PSMB8 (0.50) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL26976565 0.78 PDK1 (0.41) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL8031275 0.78 PSMB8 (0.53) KCNT1PSMB8PSMB9PSMB5CACNA1H
SCHEMBL2363430 0.76 FAAH (0.49) KCNT1PSMB8PSMB9PSMB5CACNA1H

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 KCNT1 2244/4885PSMB8 2614/4885PSMB9 2601/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KCNT1 2244/4885PSMB8 2614/4885PSMB9 2601/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KCNT1 2244/4885PSMB8 2614/4885PSMB9 2601/4885

“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.