SCHEMBL3060827

SCHEMBL3060827

Cc1noc(CC(C)C)c1C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL3061097 0.75 TP53 (0.44) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL10802043 0.73 TRPA1 (0.41) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL193631 0.71 LMNA (0.50) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL11518630 0.71 GAA (0.49) ALDH1A1GAATSHRSMN1; SMN2CYP2D6
SCHEMBL3055365 0.68 CYP1A2 (0.47) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL12002362 0.64 S1PR1 (0.35) —
SCHEMBL12000503 0.63 NPSR1 (0.38) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL3066648 0.63 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL17755900 0.63 APAF1 (0.40) ALDH1A1TSHRLMNA
SCHEMBL10984307 0.63 ALDH1A1 (0.45) ALDH1A1GAATSHRLMNAKDM4E

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 1930/4885GAA 203/4885TSHR 3338/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885GAA 203/4885TSHR 3338/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885GAA 203/4885TSHR 3338/4885

“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.

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