SCHEMBL2768439

SCHEMBL2768439

O=C(CCC1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
HRH3 Q9Y5N1 7/20 0.52
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
GSK3B P49841 2/20 0.48
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47

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
SCHEMBL12568921 0.83 KMT2A (0.54) KMT2AALDH1A1MEN1BCHEACHE
SCHEMBL28946798 0.82 KMT2A (0.69) TDP1KMT2AALDH1A1MEN1BCHE
SCHEMBL12572520 0.81 NPC1 (0.62) KMT2AALDH1A1POLBMEN1GSK3B
SCHEMBL18351270 0.81 KMT2A (0.49) TDP1KMT2AALDH1A1MEN1BCHE
SCHEMBL2439424 0.81 NPC1 (0.62) KMT2AALDH1A1POLBMEN1GSK3B
SCHEMBL13912376 0.81 KMT2A (0.68) TDP1KMT2AALDH1A1MEN1BCHE
SCHEMBL29171625 0.81 NPC1 (0.56) TDP1HRH3GSK3B
SCHEMBL2443481 0.81 KMT2A (0.68) TDP1KMT2AALDH1A1MEN1BCHE
SCHEMBL17973365 0.80 KMT2A (0.58) TDP1KMT2AALDH1A1MEN1BCHE
SCHEMBL8429957 0.79 TDP1 (0.52) TDP1HRH3KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643989-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2010-04-28 EP disclosed
EP-1643989-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2010-04-28 EP disclosed
US-7132421-B2 CIS-imidazoles HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1643989-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005002575-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20040259867-A1 CIS-imidazoles FOTOUHI NADER (US) 2004-12-23 US disclosed
US-20040259867-A1 CIS-imidazoles FOTOUHI NADER (US) 2004-12-23 US disclosed
US-20040259867-A1 CIS-imidazoles FOTOUHI NADER (US) 2004-12-23 US 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-20040259867-A1 CIS-imidazoles TP53, MDM2, TP53BP1 TDP1 1038/4885HRH3 3435/4885KMT2A 3749/4885

“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.