SCHEMBL4773323

SCHEMBL4773323

Cc1cccc(CC(N)C(=O)N2CCN(Cc3ccncc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 7/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.54
CYP46A1 Q9Y6A2 1/20 0.51
FAAH O00519 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A2 O94788 1/20 0.47
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4775039 0.88 HDAC8 (0.59) ALDH1A1HTTKDM4ETDP1TSHR
SCHEMBL4770627 0.84 DPP4 (0.53) ALDH1A1KDM4ETSHRFAAHSMN1; SMN2
SCHEMBL4776506 0.83 KDM4E (0.57) ALDH1A1KDM4ETDP1TSHRSMN1; SMN2
SCHEMBL4776390 0.79 ALDH1A1 (0.56) ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL1360148 0.78 ALDH1A1 (0.68) ALDH1A1HTTKDM4ETSHRFAAH
SCHEMBL1360150 0.78 ALDH1A1 (0.68) ALDH1A1HTTKDM4ETSHRFAAH
SCHEMBL4777024 0.77 CHRM2 (0.56) ALDH1A1HTTTSHRPOLBMEN1
Hydrochloric Acid SCHEMBL1361908 0.77 ALDH1A1 (0.67) ALDH1A1HTTKDM4ETSHRFAAH
Hydrochloric Acid SCHEMBL1361906 0.77 ALDH1A1 (0.67) ALDH1A1HTTKDM4ETSHRFAAH
SCHEMBL14456814 0.77 ALDH1A1 (0.59) ALDH1A1HTTKDM4ETDP1TSHR

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 1068/4885HTT 171/4885KDM4E 107/4885

“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.