SCHEMBL5072358

SCHEMBL5072358

CCCN(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)Cc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 4/20 0.51
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
DHODH Q02127 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PDE10A Q9Y233 1/20 0.41
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5075159 0.88 MOK (0.51) MOKKDM4EALDH1A1HPGDLMNA
SCHEMBL5072376 0.86 CYP1A2 (0.51) MOKKDM4EALDH1A1HPGDLMNA
SCHEMBL5070123 0.84 MOK (0.48) MOKKDM4EALDH1A1HPGDLMNA
SCHEMBL5071869 0.80 KDM4E (0.48) MOKKDM4EALDH1A1HPGDLMNA
SCHEMBL10677865 0.78 KDM4E (0.54) MOKKDM4EALDH1A1HPGDLMNA
SCHEMBL10769477 0.77 MOK (0.52) MOKKDM4EALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL10682090 0.76 MOK (0.51) MOKKDM4EALDH1A1HPGDLMNA
SCHEMBL13268004 0.73 KDM4E (0.54) MOKKDM4EALDH1A1HPGDLMNA
SCHEMBL7506569 0.71 MOK (0.55) MOKKDM4ELMNADHODHSMN1; SMN2
SCHEMBL13243228 0.69 ESRRB (0.59) MOKKDM4EALDH1A1HPGDLMNA

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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP claimed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP claimed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO claimed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 MOK 1533/4885KDM4E 4645/4885ALDH1A1 2679/4885

“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.