SCHEMBL4770940

SCHEMBL4770940

NC(Cc1ccccc1C(F)(F)F)C(=O)N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
TSHR P16473 2/20 0.55
CYP3A4 P08684 1/20 0.53
DPP4 P27487 3/20 0.51
DPP8 Q6V1X1 3/20 0.51
FAP Q12884 2/20 0.51
DPP9 Q86TI2 2/20 0.51
ALDH1A1 P00352 5/20 0.50
ATM Q13315 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
SIGMAR1 Q99720 2/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 1/20 0.44
GAA P10253 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL4779064 0.84 TSHR (0.51) KDM4ETSHRDPP4DPP8FAP
SCHEMBL4770627 0.80 DPP4 (0.53) KDM4ETSHRCYP3A4DPP4DPP8
SCHEMBL4779980 0.78 ALDH1A1 (0.62) KDM4ETSHRCYP3A4DPP4DPP8
SCHEMBL4776766 0.78 L3MBTL1 (0.53) KDM4EDPP4DPP8FAPDPP9
SCHEMBL14456799 0.77 KDM4E (0.56) KDM4ETSHRCYP3A4ALDH1A1ATM
SCHEMBL4776506 0.77 KDM4E (0.57) KDM4ETSHRDPP4ALDH1A1TDP1
SCHEMBL4779266 0.77 HDAC8 (0.57) KDM4ETSHR
SCHEMBL4775817 0.76 CACNA2D1 (0.54) DPP4DPP8FAPDPP9MEN1
SCHEMBL4908880 0.76 EPHX2 (0.47) KDM4ETSHRCYP3A4DPP8ALDH1A1
SCHEMBL4775039 0.75 HDAC8 (0.59) KDM4ETSHRALDH1A1ATMMEN1

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 3750/4885CYP3A4 1320/4885

“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.