SCHEMBL1021077

SCHEMBL1021077

COc1ccccc1Cc1nsc(N(CCNC(C)C)C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR6 P50406 1/20 0.35
ADRB2 P07550 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
CHRM2 P08172 2/20 0.33
LTA4H P09960 1/20 0.33
HTR1B P28222 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1019885 0.87 ADRA2C (0.33) HTR6LTA4H
SCHEMBL1020730 0.86 ALDH1A1 (0.34) ALDH1A1HTR6HTTPOLB
SCHEMBL1019364 0.81 NOS2 (0.37) L3MBTL1ALDH1A1HTR6MAPK1HTT
SCHEMBL1022427 0.80 CHRM2 (0.38) HTR6ADRB2CHRM2LTA4HHTR1B
SCHEMBL1021250 0.79 TAAR1 (0.31) HTR6
SCHEMBL1021031 0.77 CNR1 (0.36) L3MBTL1MAPK1
SCHEMBL1020739 0.77 CHRM2 (0.38) L3MBTL1ALDH1A1HTR6TSHRMAPK1
SCHEMBL1021239 0.76 TRPV4 (0.36) L3MBTL1ALDH1A1HTR6MAPK1
SCHEMBL1019479 0.76 HTR6 (0.34) ALDH1A1HTR6ADRB2TSHRLTA4H
SCHEMBL1022017 0.75 L3MBTL1 (0.37) L3MBTL1ALDH1A1HTR6ADRB2

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 L3MBTL1 1449/4885ALDH1A1 608/4885HTR6 2082/4885

“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.