SCHEMBL2379988

SCHEMBL2379988

Clc1[c][nH]c2cccc(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
GAA P10253 1/20 0.41
PSMB8 P28062 3/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
NOS1 P29475 1/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
NR4A2 P43354 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAP2K4 P45985 1/20 0.33
CHEK1 O14757 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7459887 0.79 GPR84 (0.39) GPR84GAAPSMB8ERCC5FEN1
SCHEMBL4694663 0.79 GAA (0.39) GPR84GAAPSMB8ERCC5FEN1
SCHEMBL450896 0.79 PDPK1 (0.39) PSMB8FEN1NOS1CYP2A6GPR17
SCHEMBL6009055 0.71 ERCC5 (0.53) GPR84GAAPSMB8ERCC5FEN1
SCHEMBL31619545 0.71 ERCC5 (0.53) GPR84GAAPSMB8ERCC5FEN1
SCHEMBL10794636 0.69 ALDH1A1 (0.38) GAAERCC5FEN1NR4A2MAP2K4
SCHEMBL1639050 0.68 ALDH1A1 (0.40) GPR84GAANOS1CYP1A2CYP2A6
SCHEMBL20276479 0.67 ERCC5 (0.50) GPR84GAAPSMB8ERCC5FEN1
SCHEMBL15826494 0.64 GPR84 (0.64) GPR84GAAPSMB8ERCC5FEN1
SCHEMBL29764387 0.64 GPR84 (0.64) GPR84GAAPSMB8ERCC5FEN1

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
US-8022005-B2 Halogen substituted heterocyclic heteroatom containing ligands-alumoxane activation of metallocenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-09-20 US disclosed
US-20090124486-A1 HALOGEN SUBSTITUTED HETEROCYCLIC HETEROATOM CONTAINING LIGANDS-ALUMOXANE ACTIVATION OF METALLOCENES EXXONMOBIL CHEMICAL PATENTS INC. 2009-05-14 US disclosed
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 GPR84 3532/4885GAA 369/4885PSMB8 3094/4885

“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.