SCHEMBL4775004

SCHEMBL4775004

NC(Cc1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.55
AKT2 P31751 1/20 0.55
AKT3 Q9Y243 1/20 0.55
KMT2A Q03164 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
PLAU P00749 1/20 0.51
PLAUR Q03405 1/20 0.51
HDAC8 Q9BY41 4/20 0.50
CACNA1H O95180 1/20 0.50
CACNA2D1 P54289 1/20 0.50
CACNA1B Q00975 1/20 0.50
CACNB1 Q02641 1/20 0.50
CACNA1C Q13936 1/20 0.50
DPP8 Q6V1X1 1/20 0.49
MEN1 O00255 2/20 0.49
IGF1R P08069 1/20 0.49
CHRM1 P11229 1/20 0.49
MAOB P27338 1/20 0.49
DPP4 P27487 1/20 0.48

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
SCHEMBL4776603 0.91 KMT2A (0.60) AKT1AKT2AKT3KMT2ANPSR1
SCHEMBL4778274 0.89 DPP4 (0.61) AKT1AKT2AKT3KMT2ANPSR1
SCHEMBL4776945 0.88 DPP8 (0.59) AKT1AKT2AKT3KMT2APLAU
SCHEMBL4779236 0.88 DPP8 (0.63) AKT1AKT2AKT3KMT2ANPSR1
SCHEMBL4773565 0.85 AKT1 (0.57) AKT1AKT2AKT3KMT2ANPSR1
SCHEMBL7391223 0.83 DPP8 (0.62) AKT1AKT2AKT3KMT2APLAU
SCHEMBL7391221 0.83 DPP8 (0.62) AKT1AKT2AKT3KMT2APLAU
SCHEMBL4779252 0.81 KMT2A (0.51) KMT2ANPSR1PLAUPLAURHDAC8
SCHEMBL4774505 0.80 CACNA2D1 (0.50) KMT2ANPSR1CACNA1HCACNA2D1CACNA1B
SCHEMBL4774397 0.80 KMT2A (0.53) KMT2ALMNAPLAUPLAURHDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US 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 AKT1 3114/4885AKT2 2960/4885AKT3 3021/4885

“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.