SCHEMBL1021885

SCHEMBL1021885

CNCCNc1nc(Cc2ccc(Cl)cc2)ns1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 6/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR6 P50406 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL13718541 0.87 CYP1A2 (0.50) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL1020487 0.87 NPC1 (0.37) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL1022893 0.86 STK17A (0.40) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL1020371 0.86 NPC1 (0.39) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL1020888 0.86 TAAR1 (0.44) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL1022844 0.85 ATM (0.41) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL1019542 0.85 STK17A (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL13718393 0.84 LMNA (0.45) TAAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL1021252 0.84 STK17A (0.39) NPC1RAB9A
SCHEMBL1020741 0.84 STK17A (0.39) NPC1RAB9A

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 TAAR1 2621/4885NPC1 777/4885RAB9A 1244/4885

“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.