SCHEMBL4779405

SCHEMBL4779405

NC(Cc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.59
UBE2M P61081 4/20 0.49
DCUN1D1 Q96GG9 4/20 0.49
MAPT P10636 2/20 0.42
AKT1 P31749 3/20 0.42
AKT2 P31751 3/20 0.42
AKT3 Q9Y243 3/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
NAAA Q02083 8/20 0.41
PARP1 P09874 1/20 0.41
TP53 P04637 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
SCHEMBL7425451 0.78 DRD2 (0.47) MAPTAKT1AKT2AKT3ALDH1A1
SCHEMBL4778446 0.78 HDAC8 (0.60) HDAC8MAPTAKT1AKT2AKT3
Bromide SCHEMBL7418489 0.77 DRD2 (0.46) MAPTAKT1AKT2AKT3ALDH1A1
Bromide SCHEMBL7418493 0.77 DRD2 (0.46) MAPTAKT1AKT2AKT3ALDH1A1
Bromide SCHEMBL7425690 0.77 DRD2 (0.46) MAPTAKT1AKT2AKT3ALDH1A1
Bromide SCHEMBL7425687 0.77 DRD2 (0.46) MAPTAKT1AKT2AKT3ALDH1A1
Hydrochloric Acid SCHEMBL7422561 0.77 NPC1 (0.52) MAPTALDH1A1GAA
SCHEMBL4792379 0.77 HDAC8 (0.66) HDAC8AKT1ALDH1A1GAAPARP1
SCHEMBL4778346 0.77 SMN1; SMN2 (0.48) MAPTALDH1A1
SCHEMBL7418322 0.77 MAPT (0.44) MAPTALDH1A1TP53

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 HDAC8 16/4885UBE2M 2925/4885DCUN1D1 2226/4885

“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.