SCHEMBL1019394

SCHEMBL1019394

COc1cccc(Cc2nsc(N(C)CCN)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
AOC3 Q16853 1/20 0.44
HTR6 P50406 2/20 0.43
LTA4H P09960 1/20 0.41
DHFR P00374 1/20 0.41
LTB4R Q15722 1/20 0.41
HTR1B P28222 1/20 0.40
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GBA1 P04062 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38
CALM1 P0DP23 1/20 0.38

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
SCHEMBL1020554 0.87 CHRM2 (0.48) AOC3HTR6LTA4HDHFRLTB4R
SCHEMBL1020111 0.85 NOS2 (0.44) TAAR1AOC3HTR6LTA4HALDH1A1
SCHEMBL1020890 0.84 TAAR1 (0.41) TAAR1HTR6LTA4HIDO1ALDH1A1
SCHEMBL1019214 0.83 HTR6 (0.41) TAAR1HTR6IDO1AGXTALDH1A1
SCHEMBL1022394 0.82 CARM1 (0.41) TAAR1AOC3HTR6LTB4RKDM4E
SCHEMBL1020526 0.80 BMP1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL1020465 0.80 CYP19A1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL1020707 0.78 MAPT (0.43) HTR6KDM4EALDH1A1LMNAGBA1
SCHEMBL14736517 0.77 LTA4H (0.54) TAAR1AOC3HTR6LTA4HDHFR
SCHEMBL13820352 0.77 HTR6 (0.36) HTR6LTA4HDHFRLTB4RHTR1B

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 9 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
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
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
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
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO 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 TAAR1 2621/4885AOC3 810/4885HTR6 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.