SCHEMBL3068178

SCHEMBL3068178

COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(C(Cc4ccc(N(C)C)cc4)c4ccc(N)cc4)ns3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.36
CNR1 P21554 1/20 0.36
RAB9A P51151 2/20 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
SCHEMBL3045720 0.86 HSD17B10 (0.36) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL3059099 0.81 KMT2A (0.33) KMT2AMEN1ALDH1A1NPSR1RECQL
SCHEMBL3063839 0.80 MAPT (0.38) KMT2AMEN1ALDH1A1NPSR1MAPK1
SCHEMBL3069190 0.80 KMT2A (0.46) KMT2AMEN1ALDH1A1USP2GAA
SCHEMBL3045610 0.80 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL3064709 0.79 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3055757 0.79 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3060993 0.79 ESR2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL3045584 0.78 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3063679 0.78 ACHE (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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 KMT2A 1844/4885MEN1 799/4885ALDH1A1 1930/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885ALDH1A1 1930/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885ALDH1A1 1930/4885

“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.