SCHEMBL1020554

SCHEMBL1020554

CNCCN(C)c1nc(Cc2cccc(OC)c2)ns1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
AOC3 Q16853 1/20 0.40
PIK3CD O00329 2/20 0.40
HTR6 P50406 2/20 0.40
HTR1B P28222 1/20 0.39
ENPP1 P22413 1/20 0.39
LTA4H P09960 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
DHFR P00374 1/20 0.38
LTB4R Q15722 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GBA1 P04062 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1019394 0.87 TAAR1 (0.45) AOC3HTR6HTR1BLTA4HDHFR
SCHEMBL13098771 0.87 CHRM2 (0.46) CHRM2CHRM1CHRM3AOC3HTR6
SCHEMBL1020159 0.86 NOS2 (0.48) AOC3PIK3CDHTR6LTA4HALDH1A1
SCHEMBL1020465 0.85 CYP19A1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL1022538 0.85 NOS1 (0.42) PIK3CDHTR6ENPP1LTA4HALDH1A1
SCHEMBL1021224 0.84 TAAR1 (0.46) HTR6ENPP1ALDH1A1GBA1L3MBTL1
SCHEMBL1022413 0.83 ATM (0.38) KDM4EALDH1A1L3MBTL1NOS2
SCHEMBL1020547 0.82 PKM (0.51) KDM4EALDH1A1LMNAGBA1MAPT
SCHEMBL1020526 0.79 BMP1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL1019787 0.78 CHRM2 (0.39) CHRM2CHRM1CHRM3AOC3HTR6

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 7 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
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

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 CHRM2 3891/4885CHRM1 3769/4885CHRM3 2536/4885

“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.