SCHEMBL2769813

SCHEMBL2769813

CON=C(c1ccc(Cl)cc1)C(Br)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
DRD4 P21917 10/20 0.38
DRD2 P14416 6/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL2787244 0.84 TDP1 (0.41) TDP1DRD4DRD2MAPTHTT
SCHEMBL2770616 0.84 TDP1 (0.46) TDP1DRD4DRD2MAPTHTT
SCHEMBL8434495 0.75 SLC6A2 (0.40) TDP1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL2771673 0.72 TDP1 (0.56) TDP1DRD4DRD2MAPTHTT
SCHEMBL1303034 0.65 POLB (0.50) MAPTHTTSLC6A2SLC6A4SLC6A3
SCHEMBL18574082 0.64 CYP1A2 (0.56) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL391910 0.64 CYP1A2 (0.56) DRD4DRD2MEN1KMT2AALDH1A1
SCHEMBL7871655 0.64 GSK3B (0.73) DRD4DRD2NPSR1SLC6A4MEN1
SCHEMBL8429960 0.63 SLC6A2 (0.40) TDP1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL2645826 0.63 L3MBTL1 (0.56) SLC6A2SLC6A4SLC6A3

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 6 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
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

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 1038/4885DRD4 4388/4885DRD2 4706/4885

“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.