SCHEMBL6645830

SCHEMBL6645830

NC(=S)N/N=C/c1cc(Br)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.73
KMT2A Q03164 8/20 0.73
GAA P10253 3/20 0.73
MAPT P10636 8/20 0.64
L3MBTL1 Q9Y468 4/20 0.64
LMNA P02545 4/20 0.64
HTT P42858 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 4/20 0.64
HPGD P15428 1/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
POLB P06746 2/20 0.61
ALOX12 P18054 1/20 0.61
ATM Q13315 1/20 0.56
NPC1 O15118 1/20 0.56
MITF O75030 1/20 0.56
RAB9A P51151 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ASF1A Q9Y294 1/20 0.56

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
SCHEMBL6645832 1.00 KDM4E (0.73) KDM4EKMT2AGAAMAPTL3MBTL1
SCHEMBL30310017 0.84 KMT2A (1.00) KDM4EKMT2AGAAMAPTL3MBTL1
SCHEMBL7743117 0.84 KMT2A (0.73) KDM4EKMT2AGAAMAPTL3MBTL1
SCHEMBL7743114 0.84 KMT2A (0.73) KDM4EKMT2AGAAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6641972 0.83 KMT2A (0.97) KDM4EKMT2AGAAMAPTL3MBTL1
SCHEMBL13673605 0.83 KMT2A (0.71) KDM4EKMT2AGAAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6641969 0.83 KMT2A (0.97) KDM4EKMT2AGAAMAPTL3MBTL1
SCHEMBL10525158 0.83 KDM4E (0.64) KDM4EKMT2AGAAMAPTL3MBTL1
SCHEMBL10777062 0.83 KDM4E (0.64) KDM4EKMT2AGAAMAPTL3MBTL1
SCHEMBL14195172 0.82 KMT2A (0.78) KDM4EKMT2AGAAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP claimed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US claimed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 WO claimed
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 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 (2 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 KDM4E 1458/4885KMT2A 1417/4885GAA 1205/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 KDM4E 1458/4885KMT2A 1417/4885GAA 1205/4885

“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.