SCHEMBL6789312

SCHEMBL6789312

COc1ccc(/C=C2\SC(=S)N(N)C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
THRB P10828 1/20 0.66
MAPT P10636 3/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NAT1 P18440 1/20 0.56
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55
CSNK2A2 P19784 1/20 0.55
CLK1 P49759 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
DYRK1A Q13627 1/20 0.55

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
SCHEMBL6789314 1.00 ALDH1A1 (0.66) ALDH1A1THRBMAPTNCOA3MEN1
SCHEMBL15863544 0.83 AKR1B1 (0.65) ALDH1A1MAPTMEN1KMT2ANAT1
SCHEMBL15869614 0.83 AKR1B1 (0.65) ALDH1A1MAPTMEN1KMT2ANAT1
SCHEMBL15863545 0.83 AKR1B1 (0.65) ALDH1A1MAPTMEN1KMT2ANAT1
SCHEMBL7962481 0.81 CISD1 (0.68) ALDH1A1MAPTMEN1KMT2ANAT1
SCHEMBL6785656 0.81 CISD1 (0.68) ALDH1A1MAPTMEN1KMT2ANAT1
SCHEMBL14407429 0.81 MAPT (0.70) ALDH1A1THRBMAPTNCOA3MAPK1
SCHEMBL30250046 0.81 CISD1 (0.64) ALDH1A1THRBMAPTNCOA3MEN1
SCHEMBL6784131 0.80 CISD1 (0.67) ALDH1A1MAPTMEN1KMT2ANAT1
SCHEMBL6784135 0.80 CISD1 (0.67) ALDH1A1MAPTMEN1KMT2ANAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727267-B2 COMPOUND FOR USE IN THE TREATMENT OF VIRAL DISEASES TULARIK INC. 2004-04-27 US disclosed
US-20020142290-A1 Compound for use in the treatment of viral diseases TULARIK INC. (US) 2002-10-03 US disclosed
WO-2001077091-A2 NS5B HCV POLYMERASE INHIBITORS TULARIK INC. (US) 2001-10-18 WO 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 (1 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-20020142290-A1 Compound for use in the treatment of viral diseases POLRMT, RNASE1, POLI ALDH1A1 854/4885THRB 2795/4885MAPT 1867/4885

“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.