SCHEMBL4780105

SCHEMBL4780105

NC(Cc1ccc(Br)s1)C(=O)N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.43
HSD11B1 P28845 1/20 0.42
AKT1 P31749 2/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 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
SCHEMBL4775585 0.84 ALDH1A1 (0.51) KDM4ETSHRL3MBTL1ALDH1A1MAPT
SCHEMBL4779506 0.82 ALDH1A1 (0.55) KDM4ETSHRL3MBTL1ALDH1A1MAPT
SCHEMBL4772770 0.80 EPHX2 (0.47) KDM4ETSHRALDH1A1AKT1
SCHEMBL4774404 0.79 KDM4E (0.50) KDM4EL3MBTL1MAPTAKT1
SCHEMBL4776506 0.76 KDM4E (0.57) KDM4ETSHRALDH1A1AKT1SMN1; SMN2
SCHEMBL4779266 0.76 HDAC8 (0.57) KDM4ETSHRAKT1
SCHEMBL4776929 0.75 L3MBTL1 (0.53) KDM4EL3MBTL1ALDH1A1AKT1SMN1; SMN2
SCHEMBL4776526 0.75 ALDH1A1 (0.46) KDM4ETSHRL3MBTL1ALDH1A1AKT1
SCHEMBL4775039 0.75 HDAC8 (0.59) KDM4ETSHRALDH1A1MAPTAKT1
SCHEMBL4770940 0.74 KDM4E (0.55) KDM4ETSHRALDH1A1SMN1; SMN2NPSR1

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-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 KDM4E 107/4885TSHR 3750/4885L3MBTL1 2113/4885

“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.