SCHEMBL1022893

SCHEMBL1022893

NCCCNc1nc(Cc2ccc(Cl)cc2)ns1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 10/20 0.40
STK17B O94768 5/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
FERMT2 Q96AC1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SYK P43405 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
HTR6 P50406 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
SCHEMBL1019542 0.96 STK17A (0.40) STK17ASTK17BNPC1RAB9AFERMT2
SCHEMBL1021252 0.95 STK17A (0.39) STK17ASTK17BNPC1RAB9AFERMT2
SCHEMBL1020741 0.95 STK17A (0.39) STK17ASTK17BNPC1RAB9AFERMT2
SCHEMBL1020371 0.92 NPC1 (0.39) STK17ANPC1RAB9AFERMT2ALDH1A1
SCHEMBL1020945 0.86 SYK (0.36) NPC1RAB9AALDH1A1LMNACYP1A2
SCHEMBL1019817 0.86 STK17A (0.38) STK17ASTK17BALDH1A1SYKTAAR1
SCHEMBL1020924 0.86 GLS (0.36) NPC1RAB9AALDH1A1SYK
SCHEMBL1021885 0.86 TAAR1 (0.44) NPC1RAB9AALDH1A1LMNACYP1A2
SCHEMBL13718541 0.85 CYP1A2 (0.50) NPC1RAB9AALDH1A1LMNACYP1A2
SCHEMBL1023567 0.83 MAPT (0.42) NPC1RAB9AALDH1A1LMNACYP2D6

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 STK17A 756/4885STK17B 616/4885NPC1 777/4885

“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.