SCHEMBL3060216

SCHEMBL3060216

CC(C)Cc1cc(C(=O)N2CCCN(c3nc(C(O)c4ccc(Oc5ccccc5)cc4)ns3)CC2)no1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 3/20 0.41
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37

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
SCHEMBL3067575 0.77 FAAH (0.46) MAPTRAB9APOLB
SCHEMBL3056231 0.74 GALR3 (0.48) MAPTRAB9APOLB
SCHEMBL3064839 0.72 TLR7 (0.40) LMNAMAPTHTTSMN1; SMN2TP53
SCHEMBL3058392 0.71 SMN1; SMN2 (0.45) LMNAMAPTHTTSMN1; SMN2TSHR
SCHEMBL3059798 0.70 SCN9A (0.47) MAPT
SCHEMBL3058771 0.70 FAAH (0.54) LMNAMAPTHTTSMN1; SMN2TP53
SCHEMBL3053528 0.70 SCN9A (0.50) MAPT
SCHEMBL3048997 0.70 DCTPP1 (0.34) LMNAMAPTHTTSMN1; SMN2TSHR
SCHEMBL3064525 0.70 SMN1; SMN2 (0.42) LMNAMAPTHTTSMN1; SMN2TSHR
SCHEMBL3066676 0.70 FAAH (0.62) LMNAMAPTRAB9APOLBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885MAPT 9/4885HTT 2/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885MAPT 9/4885HTT 2/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885MAPT 9/4885HTT 2/4885

“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.