SCHEMBL1021387

SCHEMBL1021387

CC(C)NCCN(c1nc(Cc2ccccc2)ns1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
CACNA2D1 P54289 1/20 0.31
LTA4H P09960 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1021031 0.89 CNR1 (0.36) MAPK1L3MBTL1
SCHEMBL1021239 0.88 TRPV4 (0.36) NPC1MAPK1L3MBTL1
SCHEMBL1021250 0.88 TAAR1 (0.31)
SCHEMBL1019479 0.88 HTR6 (0.34) LTA4H
SCHEMBL1022017 0.87 L3MBTL1 (0.37) NPC1RAB9AL3MBTL1
SCHEMBL1019364 0.86 NOS2 (0.37) LTA4HMAPK1SMN1; SMN2L3MBTL1
SCHEMBL1022427 0.85 CHRM2 (0.38) LTA4HNPC1
SCHEMBL1019885 0.85 ADRA2C (0.33) LTA4H
SCHEMBL1020730 0.84 ALDH1A1 (0.34) NPC1RAB9A
SCHEMBL1021077 0.83 L3MBTL1 (0.35) LTA4HMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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 (1 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CCR4 3824/4885BCHE 1848/4885ACHE 524/4885

“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.