SCHEMBL1020487

SCHEMBL1020487

CNCCNc1nc(Cc2ccc(C)cc2)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
AR P10275 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.34
HTR6 P50406 1/20 0.34
CNR1 P21554 1/20 0.34
LTA4H P09960 1/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1020945 0.87 SYK (0.36) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL1020888 0.87 TAAR1 (0.44) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL1021885 0.87 TAAR1 (0.44) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL1024188 0.87 SMN1; SMN2 (0.37) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL1022844 0.87 ATM (0.41) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL1021399 0.86 SYK (0.38) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL1020759 0.85 SYK (0.37) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL1022485 0.85 SYK (0.37) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL1020669 0.85 MAPT (0.44) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL1021355 0.83 ALDH1A1 (0.43) NPC1RAB9AALDH1A1LMNAMEN1

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 1244/4885ALDH1A1 608/4885

“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.