SCHEMBL1021453

SCHEMBL1021453

CCC(N)CNc1nc(Cc2ccc(C)cc2)ns1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CNR1 P21554 1/20 0.33
HTR6 P50406 1/20 0.33
PRKCI P41743 3/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
AR P10275 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK2 P24941 4/20 0.32
AKT1 P31749 4/20 0.32
BCDIN3D Q7Z5W3 2/20 0.31
SYK P43405 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1020609 0.90 PRKCI (0.33) NPC1RAB9ACNR1HTR6PRKCI
SCHEMBL1020734 0.89 CDK2 (0.39) NPC1RAB9AHTR6PRKCIMEN1
SCHEMBL1021490 0.89 AKT1 (0.38) NPC1HTR6PRKCIALDH1A1CDK2
SCHEMBL1022060 0.88 HRH3 (0.40) NPC1RAB9ACNR1HTR6LTA4H
SCHEMBL1021104 0.87 GBA1 (0.38) NPC1RAB9ACNR1HTR6PRKCI
SCHEMBL1021254 0.86 LMNA (0.40) NPC1RAB9AHTR6PRKCILTA4H
SCHEMBL1019639 0.85 ALDH1A1 (0.39) HTR6PRKCILTA4HALDH1A1LMNA
SCHEMBL1019775 0.83 AKT1 (0.38) PRKCICDK2AKT1BCDIN3D
SCHEMBL1018500 0.80 HTR6 (0.36) HTR6PRKCILTA4HALDH1A1CDK2
SCHEMBL1021873 0.80 AKT1 (0.43) NPC1HTR6MEN1ALDH1A1KMT2A

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 NPC1 777/4885RAB9A 1244/4885CNR1 3094/4885

“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.