SCHEMBL3061097

SCHEMBL3061097

CCCCc1onc(C)c1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 7/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ PKM P14618 2/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL11694508 0.75 CYP1A1 (0.48) TP53GAATSHRKMT2AMEN1
SCHEMBL3060827 0.75 ALDH1A1 (0.35) GAATSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL11522802 0.73 GAA (0.44) TP53GAATSHRALDH1A1SMN1; SMN2
SCHEMBL16021517 0.72 TP53 (0.35) TP53GAAALDH1A1
SCHEMBL10802953 0.71 NPSR1 (0.38) TSHRALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL193631 0.70 LMNA (0.50) GAATSHRALDH1A1KMT2AMEN1
SCHEMBL13283814 0.70 HTT (0.47) TP53GAATSHRALDH1A1KMT2A
SCHEMBL11518630 0.70 GAA (0.49) TP53GAATSHRALDH1A1KMT2A
SCHEMBL17483050 0.68 HCAR2 (0.41) TP53GAATSHRALDH1A1KMT2A
SCHEMBL27322186 0.68 GABRP (0.36) TP53GAATSHRALDH1A1KMT2A

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 TP53 4360/4885GAA 203/4885TSHR 3338/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TP53 4360/4885GAA 203/4885TSHR 3338/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TP53 4360/4885GAA 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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