SCHEMBL3060394

SCHEMBL3060394

COc1cc(-c2ccc(C(=O)Cl)o2)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 7/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 4/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
PDE7A Q13946 1/20 0.44
PDE3A Q14432 1/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL3325892 0.79 MAPT (0.70) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3327876 0.78 MAPT (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3066292 0.74 MAPT (0.79) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28201857 0.74 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL16396603 0.73 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3055529 0.70 CHRNB4 (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8008016 0.70 PTGS1 (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL309863 0.70 LMNA (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL31462930 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL3063864 0.69 MAPT (0.65) MAPTALDH1A1MEN1KMT2ALMNA

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 MAPT 9/4885ALDH1A1 1930/4885MEN1 799/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885ALDH1A1 1930/4885MEN1 799/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885ALDH1A1 1930/4885MEN1 799/4885

“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.