SCHEMBL1019364

SCHEMBL1019364

COc1ccc(Cc2nsc(N(CCNC(C)C)C(C)C)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
HTR6 P50406 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LMNA P02545 1/20 0.33
LTA4H P09960 2/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL1021250 0.86 TAAR1 (0.31) HTR6TAAR1
SCHEMBL1021239 0.86 TRPV4 (0.36) ALDH1A1MAPTMAPK1L3MBTL1HTR6
SCHEMBL1021387 0.86 CCR4 (0.32) MAPK1L3MBTL1SMN1; SMN2LTA4H
SCHEMBL1021077 0.81 L3MBTL1 (0.35) ALDH1A1ATMMAPK1L3MBTL1HTT
SCHEMBL1019479 0.79 HTR6 (0.34) ALDH1A1CYP2D6HTR6TAAR1LMNA
SCHEMBL1022017 0.78 L3MBTL1 (0.37) ALDH1A1L3MBTL1HTR6TAAR1LMNA
SCHEMBL1020730 0.76 ALDH1A1 (0.34) ALDH1A1HTTHTR6TAAR1LMNA
SCHEMBL1020159 0.75 NOS2 (0.48) NOS2ALDH1A1CYP2D6ATMMAPT
SCHEMBL1021912 0.72 NOS2 (0.41) NOS2ALDH1A1CYP2D6ATMMAPT
SCHEMBL1022033 0.72 ALDH1A1 (0.51) NOS2ALDH1A1SMN1; SMN2HTTLMNA

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 NOS2 3358/4885ALDH1A1 608/4885CYP2D6 4262/4885

“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.