SCHEMBL1021540

SCHEMBL1021540

Cc1cc(Cc2nsc(NCCN)n2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
SOS1 Q07889 2/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MMP13 P45452 2/20 0.33
DAO P14920 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.30
NPC1 O15118 1/20 0.30
STK17A Q9UEE5 1/20 0.30
PRKCI P41743 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
SCHEMBL1020783 0.93 MPO (0.37) MPOSOS1SLC6A2SLC6A4SLC6A3
SCHEMBL1021175 0.92 MPO (0.36) MPOSOS1SLC6A2SLC6A4SLC6A3
SCHEMBL1019391 0.91 HDAC3 (0.36) MPOSLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL1020827 0.91 HDAC3 (0.36) MPOSLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL1022472 0.90 MPO (0.36) MPOSOS1MMP13DAOHDAC3
SCHEMBL1020409 0.87 MPO (0.35) MPOMMP13
SCHEMBL1021963 0.85 HRH3 (0.36) MPO
SCHEMBL1020396 0.84 MPO (0.36) MPOSLC6A2SLC6A4SLC6A3MMP13
SCHEMBL1020408 0.83 MPO (0.35) MPOSLC6A2SLC6A4SLC6A3MMP13
SCHEMBL1024188 0.83 SMN1; SMN2 (0.37) NPC1

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 MPO 3448/4885SOS1 4472/4885SLC6A2 3588/4885

“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.