SCHEMBL1018388

SCHEMBL1018388

NCCNc1nc(Cc2ccccc2)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 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
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GLS O94925 1/20 0.35
HTR2A P28223 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
SCHEMBL1020924 0.91 GLS (0.36) ALDH1A1NPC1RAB9APDE4APDE4B
SCHEMBL1021459 0.90 MAOA (0.38) GLS
SCHEMBL1020762 0.89 ACHE (0.38)
SCHEMBL1019689 0.89 ACHE (0.38)
SCHEMBL1021374 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EHTR6
SCHEMBL1024188 0.85 SMN1; SMN2 (0.37) ALDH1A1NPC1RAB9AHSD17B10CYP1A2
SCHEMBL1020371 0.85 NPC1 (0.39) ALDH1A1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL1022844 0.85 ATM (0.41) ALDH1A1NPC1RAB9APDE4APDE4B
SCHEMBL1021673 0.84 TAAR1 (0.42) ALDH1A1NPC1RAB9AKDM4EHTR6
SCHEMBL1021101 0.84 TAAR1 (0.42) NPC1RAB9AHTR6

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 ALDH1A1 608/4885NPC1 777/4885RAB9A 1244/4885

“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.