SCHEMBL4776526

SCHEMBL4776526

NC(Cc1ccc(Br)s1)C(=O)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
AKT1 P31749 1/20 0.44
DPP4 P27487 2/20 0.44
CYP3A4 P08684 1/20 0.44
BLM P54132 1/20 0.43
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 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
SCHEMBL4774505 0.84 CACNA2D1 (0.50) ALDH1A1KDM4EMAOBHPGDDPP8
SCHEMBL4776929 0.83 L3MBTL1 (0.53) ALDH1A1KDM4EAKT1DPP4L3MBTL1
SCHEMBL4774404 0.83 KDM4E (0.50) KDM4EAKT1DPP4L3MBTL1
SCHEMBL4775325 0.81 CYP2C19 (0.51) ALDH1A1DPP4BLMMAOBTSHR
SCHEMBL4779003 0.80 HDAC8 (0.60) DPP4DPP8
SCHEMBL4779013 0.80 HDAC8 (0.60) DPP4DPP8
SCHEMBL4778559 0.80 HDAC8 (0.40) ALDH1A1KDM4EAKT1L3MBTL1DPP8
SCHEMBL4771095 0.78 HDAC8 (0.61) KDM4EAKT1DPP4CYP3A4L3MBTL1
SCHEMBL4779506 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAAKT1DPP4
SCHEMBL4776973 0.77 HDAC8 (0.47) ALDH1A1LMNAAKT1DPP4CYP3A4

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 ALDH1A1 1068/4885KDM4E 107/4885LMNA 957/4885

“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.