SCHEMBL1019826

SCHEMBL1019826

CC(N)CNc1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR6 P50406 2/20 0.36
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35
ADRA1D P25100 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PRKCI P41743 10/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL1021104 0.88 GBA1 (0.38) ALDH1A1HTR6TLR8TLR7PRKCI
SCHEMBL1021490 0.87 AKT1 (0.38) ALDH1A1KDM4EHTR6CDK2AKT1
SCHEMBL1021021 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EHTR6CDK2AKT1
SCHEMBL1020893 0.87 SLC6A2 (0.41) ALDH1A1KDM4EHTR6CDK2AKT1
SCHEMBL1023581 0.86 SLC6A2 (0.38) ALDH1A1HTR6PRKCIMAOA
SCHEMBL1019033 0.85 NPC1 (0.40) HTR6AKT1HTR2CTLR8TLR7
SCHEMBL1019378 0.85 CDK2 (0.37) ALDH1A1KDM4EHTR6CDK2AKT1
SCHEMBL1018460 0.85 SLC6A4 (0.43) ALDH1A1HTR6TLR8TLR7
SCHEMBL1020396 0.84 MPO (0.36) CDK2AKT1PRKCITSHR
SCHEMBL13718457 0.82 KDM4E (0.37) ALDH1A1KDM4EHTR6ADRA1DHTR2C

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 608/4885KDM4E 4180/4885HTR6 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.