SCHEMBL1022844

SCHEMBL1022844

CNCCNc1nc(Cc2ccccc2)ns1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
GLS O94925 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1020487 0.87 NPC1 (0.37) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL1020924 0.85 GLS (0.36) ALDH1A1GLSMEN1KMT2ANPC1
SCHEMBL1021885 0.85 TAAR1 (0.44) TAAR1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1020888 0.85 TAAR1 (0.44) TAAR1ALDH1A1MEN1KMT2ANPC1
SCHEMBL1018388 0.85 ALDH1A1 (0.37) ALDH1A1GLSNPC1RAB9APDE4A
SCHEMBL1021355 0.85 ALDH1A1 (0.43) TAAR1ALDH1A1MEN1KMT2ANPC1
SCHEMBL1021459 0.84 MAOA (0.38) GLS
SCHEMBL1022348 0.84 TAAR1 (0.49) TAAR1ALDH1A1L3MBTL1NPC1LMNA
SCHEMBL1020762 0.83 ACHE (0.38)
SCHEMBL1020669 0.83 MAPT (0.44) ATMALDH1A1L3MBTL1NPC1RAB9A

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 ATM 800/4885TAAR1 2621/4885ALDH1A1 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.