Sugi Predict

Sugi Predict / Compounds / SCHEMBL3063799

SCHEMBL3063799

SCHEMBL3063799

CCS(=O)(=O)N1CCN(c2nc(C3(c4ccccc4)CCC(=O)CC3)ns2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP2C9 P11712 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PKM P14618 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
SCHEMBL3069443 0.92 KMT2A (0.40) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3049325 0.91 KMT2A (0.39) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3045733 0.91 KMT2A (0.39) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3067585 0.91 KMT2A (0.39) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3056768 0.91 KMT2A (0.39) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3048930 0.91 KMT2A (0.39) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3060345 0.90 MEN1 (0.38) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3055387 0.89 KMT2A (0.37) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3055430 0.88 MEN1 (0.36) KMT2AMEN1MAPK1LMNACYP2C9
SCHEMBL3067469 0.88 MEN1 (0.39) KMT2AMEN1MAPK1LMNACYP2C9

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 799/4885MAPK1 1449/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885MAPK1 1449/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885MAPK1 1449/4885

“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.