SCHEMBL3056404

SCHEMBL3056404

COC(=O)c1cccc(-c2ccc(C(=O)Cl)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
PRMT1 Q99873 1/20 0.53
PIK3CG P48736 1/20 0.51
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
PRKDC P78527 1/20 0.48
TP53 P04637 1/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL699963 0.87 ALDH1A1 (0.54) ALDH1A1POLBMAPTBLMKMT2A
SCHEMBL13269280 0.87 NR4A1 (0.60) ALDH1A1POLBMAPTBLMKMT2A
SCHEMBL3055510 0.87 HPGD (0.66) ALDH1A1POLBMAPTHPGDSMN1; SMN2
SCHEMBL3067160 0.87 SMN1; SMN2 (0.66) ALDH1A1POLBMAPTBLMKMT2A
SCHEMBL3053120 0.82 TP53 (0.52) POLBMAPTHPGDSMN1; SMN2NPC1
SCHEMBL14363093 0.82 ALDH1A1 (0.58) ALDH1A1POLBMAPTBLMKMT2A
SCHEMBL67941 0.78 CA12 (0.68) POLBCA12CA9CA1CA2
SCHEMBL3059961 0.77 SLC9A1 (0.65) ALDH1A1POLBMAPTKMT2ASAE1
SCHEMBL1505354 0.77 ALDH1A1 (0.53) ALDH1A1POLBMAPTBLMKMT2A
SCHEMBL4945600 0.77 ALDH1A1 (0.67) ALDH1A1POLBMAPTKMT2AHPGD

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 1930/4885POLB 3933/4885MAPT 9/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885POLB 3933/4885MAPT 9/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885POLB 3933/4885MAPT 9/4885

“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.