SCHEMBL1020111

SCHEMBL1020111

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.44
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
AOC3 Q16853 1/20 0.39
HTR6 P50406 1/20 0.39
LTA4H P09960 2/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
MAOB P27338 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL1020159 0.86 NOS2 (0.48) NOS2ALDH1A1CYP2D6ATMAOC3
SCHEMBL1019394 0.85 TAAR1 (0.45) ALDH1A1TAAR1AOC3HTR6LTA4H
SCHEMBL1021875 0.85 HTR6 (0.35) NOS2TAAR1HTR6LTA4HMAOB
SCHEMBL1021400 0.84 AOC3 (0.36) ALDH1A1TAAR1AOC3HTR6MAPT
SCHEMBL1020728 0.84 AOC3 (0.36) NOS2ALDH1A1CYP2D6TAAR1AOC3
SCHEMBL1022394 0.84 CARM1 (0.41) NOS2ALDH1A1CYP2D6TAAR1AOC3
SCHEMBL1020162 0.80 NOS2 (0.40) NOS2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1022033 0.79 ALDH1A1 (0.51) NOS2ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL1019453 0.78 MPO (0.37) NOS2
SCHEMBL1021223 0.78 TAAR1 (0.42) ALDH1A1TAAR1AOC3HTR6LTA4H

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.