SCHEMBL5240736

SCHEMBL5240736

CC(C1CCCCC1)n1c(=O)[nH]c2cc(Nc3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MDM2 Q00987 5/20 0.46
ERCC1 P07992 1/20 0.43
DNASE1 P24855 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
MAPK9 P45984 1/20 0.40
APP P05067 1/20 0.40
B3GNT2 Q9NY97 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.35
PIK3CA P42336 1/20 0.35
PRKDC P78527 1/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL30336977 0.81 POLB (0.60) POLBHPGDMAPK1MEN1KMT2A
SCHEMBL23997184 0.81 POLB (0.60) POLBHPGDMAPK1MEN1KMT2A
SCHEMBL5242312 0.80 POLB (0.52) POLBMDM2ERCC1DNASE1FEN1
SCHEMBL5243128 0.79 POLB (0.51) POLBMDM2ERCC1DNASE1FEN1
SCHEMBL5240527 0.76 SIRT2 (0.54) POLBERCC1DNASE1FEN1ERCC4
SCHEMBL5241130 0.75 MAPK9 (0.67) MDM2ERCC1DNASE1FEN1ERCC4
SCHEMBL5243743 0.75 POLB (0.53) POLBMDM2ERCC1DNASE1FEN1
SCHEMBL14339623 0.73 LMNA (0.55) POLBERCC1DNASE1FEN1ERCC4
SCHEMBL5245528 0.72 ERCC1 (0.51) POLBMDM2ERCC1DNASE1FEN1
SCHEMBL5857428 0.71 TNKS (0.46) ERCC1DNASE1FEN1ERCC4LMNA

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-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US claimed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US disclosed
EP-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
US-20040192748-A1 Heterocyclic compounds BOEHRINGER INGELHEIM PARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 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-20040192748-A1 Heterocyclic compounds IL1B, CCL5, IL4 POLB 2544/4885MDM2 3249/4885ERCC1 3738/4885

“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.