SCHEMBL6160593

SCHEMBL6160593

Clc1[c]n(Cl)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2C19 P33261 1/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX4 Q99571 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL450895 0.76 GPR3 (0.34) GPR3CYP1A2CYP2A6CYP2C19CYP19A1
SCHEMBL7459883 0.76 GPR3 (0.34) GPR3CYP1A2CYP2C19CYP19A1KDM4E
SCHEMBL938097 0.76 GPR3 (0.44) GPR3CYP1A2CYP2A6CYP2C19CYP19A1
SCHEMBL4533455 0.70 CYP1A2 (0.32) CYP1A2CYP2A6POLB
SCHEMBL7648214 0.64 GPR3 (0.52) GPR3CYP1A2CYP2A6CYP2C19CYP19A1
SCHEMBL19810738 0.64 MAPK1 (0.40) GPR3CYP1A2CYP2C19CYP19A1KDM4E
SCHEMBL1537961 0.62 MAPK1 (0.39) GPR3CYP1A2CYP2C19CYP19A1KDM4E
SCHEMBL23529688 0.59 HTT (0.40) GPR3CYP1A2CYP2A6CYP2C19CYP19A1
SCHEMBL8579432 0.59 MAPK1 (0.40) GPR3CYP1A2CYP2C19CYP19A1KDM4E
SCHEMBL1618808 0.59 GPR3 (0.52) GPR3CYP1A2CYP2C19CYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341766-B1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
EP-1341766-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP disclosed
US-6518293-B2 Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. HOFFMANN-LA ROCHE INC. 2003-02-11 US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 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-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E GPR3 4195/4885CYP1A2 880/4885CYP2A6 1283/4885

“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.