SCHEMBL3059947

SCHEMBL3059947

Cc1ccc(Oc2ccc(Cc3nsc(N4CCN(S(=O)(=O)c5ccc(-c6csc(C)n6)cc5)CC4)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 4/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TSHR P16473 2/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.42
USP2 O75604 3/20 0.42
HSD17B10 Q99714 3/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL3062212 0.90 PKM (0.44) ALDH1A1LMNAHTTTSHRSMN1; SMN2
SCHEMBL3054850 0.90 NPSR1 (0.54) ALDH1A1LMNAHTTNPSR1TSHR
SCHEMBL3054350 0.88 ALDH1A1 (0.40) ALDH1A1LMNAHTTNPSR1TSHR
SCHEMBL3058037 0.86 MAPT (0.46) ALDH1A1LMNAHTTTSHRSMN1; SMN2
SCHEMBL3054823 0.86 KMT2A (0.43) ALDH1A1LMNAHTTTSHRSMN1; SMN2
SCHEMBL3053842 0.84 THRB (0.43) ALDH1A1LMNAPOLBGBA1MEN1
SCHEMBL2012893 0.83 KMT2A (0.53) ALDH1A1LMNAHTTTSHRRAB9A
SCHEMBL3063330 0.83 L3MBTL1 (0.44) ALDH1A1LMNAHTTNPSR1TSHR
SCHEMBL3045864 0.82 ALDH1A1 (0.45) ALDH1A1LMNAHTTNPSR1TSHR
SCHEMBL3065977 0.81 KMT2A (0.53) ALDH1A1LMNAHTTTSHRSMN1; SMN2

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 ALDH1A1 1930/4885LMNA 1113/4885HTT 2/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885LMNA 1113/4885HTT 2/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885LMNA 1113/4885HTT 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.