SCHEMBL1021136

SCHEMBL1021136

CC(CCN)Nc1nc(Cc2ccc(Cl)cc2)ns1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTR6 P50406 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CETP P11597 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL1020112 0.89 CNR1 (0.35) NPC1RAB9AHTR6MEN1KMT2A
SCHEMBL1021019 0.88 KDM4E (0.36) NPC1HTR6MEN1KMT2AL3MBTL1
SCHEMBL1020398 0.85 MAPT (0.40) NPC1RAB9AHTR6MEN1KMT2A
SCHEMBL1020761 0.85 NPC1 (0.37) NPC1RAB9AHTR6HSP90AB1MEN1
SCHEMBL1020408 0.83 MPO (0.35) L3MBTL1SLC6A2SLC6A3MAPTALDH1A1
SCHEMBL1021292 0.81 NPC1 (0.37) NPC1RAB9AHTR6HSP90AB1MEN1
SCHEMBL13718257 0.81 NPC1 (0.37) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL1020371 0.80 NPC1 (0.39) NPC1RAB9AHTR6HSP90AB1L3MBTL1
SCHEMBL1020733 0.80 NPC1 (0.38) NPC1RAB9AHTR6HSP90AB1MEN1
SCHEMBL1021316 0.80 ALDH1A1 (0.39) NPC1RAB9AHTR6MEN1KMT2A

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 NPC1 777/4885RAB9A 1244/4885HTR6 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.