SCHEMBL3068445

SCHEMBL3068445

COC(=O)c1ccccc1-c1ccc(C(=O)Cl)o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 5/20 0.63
BRAF P15056 1/20 0.55
HPGD P15428 4/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.53
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 3/20 0.51
TDP2 O95551 1/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SYK P43405 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL8792096 0.81 KDM4E (0.67) KDM4EALDH1A1BRAFHPGDKMT2A
SCHEMBL24445943 0.80 KDM4E (0.65) KDM4EALDH1A1BRAFHPGDKMT2A
SCHEMBL6428103 0.78 KDM4E (1.00) KDM4EALDH1A1BRAFHPGDKMT2A
SCHEMBL8791859 0.77 KDM4E (0.60) KDM4EALDH1A1BRAFHPGDKMT2A
SCHEMBL69464 0.76 SLC6A3 (0.67) KDM4EALDH1A1KMT2AHSD17B10SMN1; SMN2
SCHEMBL31462930 0.76 ALDH1A1 (0.42) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL28269605 0.76 ALDH1A1 (0.75) ALDH1A1HPGDKMT2ANPC1SMN1; SMN2
SCHEMBL4942886 0.75 ALDH1A1 (0.69) ALDH1A1HPGDKMT2ANPC1SMN1; SMN2
SCHEMBL8348740 0.74 SLC9A1 (0.61) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL29352634 0.74 SLC9A1 (0.61) KDM4EALDH1A1HPGDKMT2AHSD17B10

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 KDM4E 4164/4885ALDH1A1 1930/4885BRAF 4039/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885ALDH1A1 1930/4885BRAF 4039/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885ALDH1A1 1930/4885BRAF 4039/4885

“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.