SCHEMBL5745273

SCHEMBL5745273

COC(=O)c1cccc(N2CCNCC2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TP53 P04637 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
RAD52 P43351 1/20 0.42
BRPF1 P55201 2/20 0.42
BRD4 O60885 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF3 Q9ULD4 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRM3 P20309 1/20 0.41
PMM2 O15305 1/20 0.41
MPI P34949 1/20 0.41

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
SCHEMBL5742221 0.84 OPRD1 (0.46) ALDH1A1MAPTHPGDRAD52BRPF1
SCHEMBL2876503 0.79 ADRB1 (0.59) GAATP53ALDH1A1MAPTHPGD
SCHEMBL4272059 0.79 ADRB1 (0.59) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL21098564 0.79 ADRB1 (0.59) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL29138272 0.79 MAPT (0.51) GAATP53ALDH1A1MAPTHPGD
SCHEMBL18245084 0.78 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL29249365 0.78 GAA (0.46) GAATP53ALDH1A1MAPTHPGD
SCHEMBL18245086 0.78 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4EKMT2A
Hydrochloric Acid SCHEMBL29249374 0.77 GAA (0.46) GAATP53ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL29646078 0.77 RAD52 (0.45) ALDH1A1MAPTHPGDKDM4EKMT2A

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-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 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 (3 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ GAA 834/4885TP53 2587/4885ALDH1A1 3348/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS GAA 813/4885TP53 2720/4885ALDH1A1 3475/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK GAA 1175/4885TP53 3582/4885ALDH1A1 3118/4885

“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.