SCHEMBL1020396

SCHEMBL1020396

Cc1cc(Cc2nsc(NCC(C)N)n2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.36
PRKCI P41743 9/20 0.33
CDK2 P24941 1/20 0.33
AKT1 P31749 1/20 0.33
MMP13 P45452 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
DAO P14920 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
TSHR P16473 1/20 0.30
BCDIN3D Q7Z5W3 2/20 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
SCHEMBL1020409 0.89 MPO (0.35) MPOMMP13
SCHEMBL1019775 0.89 AKT1 (0.38) MPOPRKCICDK2AKT1MMP13
SCHEMBL1021370 0.88 CDK2 (0.35) MPOCDK2AKT1MMP13
SCHEMBL1021540 0.84 MPO (0.38) MPOPRKCIMMP13SLC6A2SLC6A4
SCHEMBL1019826 0.84 ALDH1A1 (0.37) PRKCICDK2AKT1TSHR
SCHEMBL1021104 0.83 GBA1 (0.38) PRKCITSHR
SCHEMBL1020783 0.82 MPO (0.37) MPOMMP13SLC6A2SLC6A4SLC6A3
SCHEMBL1019033 0.82 NPC1 (0.40) MPOAKT1
SCHEMBL1021963 0.82 HRH3 (0.36) MPO
SCHEMBL1022472 0.82 MPO (0.36) MPOMMP13DAO

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 3448/4885PRKCI 2188/4885CDK2 1028/4885

“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.