SCHEMBL1020244

SCHEMBL1020244

CCC(CCN)Nc1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR6 P50406 2/20 0.33
KCNH3 Q9ULD8 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL1021489 0.90 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1TP53MAPT
SCHEMBL1022058 0.89 CNR1 (0.32) ALDH1A1HTR6TAAR1
SCHEMBL1020761 0.88 NPC1 (0.37) ALDH1A1KDM4ETP53MAPTSMN1; SMN2
SCHEMBL1021234 0.86 NPC1 (0.38) ALDH1A1HTR6TAAR1HTR2C
SCHEMBL1021961 0.86 MPO (0.34)
SCHEMBL1021362 0.86 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2HTR6TAAR1
SCHEMBL1019377 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EHTR6ADRA1DHTR2C
SCHEMBL1021019 0.85 KDM4E (0.36) ALDH1A1KDM4ETDP1TP53MAPT
SCHEMBL1021064 0.82 HTR6 (0.36) ALDH1A1HTR6TAAR1HTR2C
SCHEMBL1020770 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHTR6TAAR1

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 4180/4885TDP1 69/4885

“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.