SCHEMBL4772770

SCHEMBL4772770

NC(Cc1ccc(-c2ccc(Cl)cc2Cl)s1)C(=O)N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
F10 P00742 4/20 0.43
AKT1 P31749 2/20 0.43
TACR3 P29371 1/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LSS P48449 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
SLC2A1 P11166 1/20 0.40
MC4R P32245 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL4775820 0.87 EPHX2 (0.46) EPHX2KDM4EMC4RALDH1A1
SCHEMBL4777934 0.86 ALDH1A1 (0.47) EPHX2KDM4EF10AKT1TACR3
SCHEMBL4778375 0.84 HDAC8 (0.47) EPHX2TSHRAKT1HDAC8HDAC3
SCHEMBL4779266 0.83 HDAC8 (0.57) EPHX2KDM4ETSHRF10AKT1
SCHEMBL4776973 0.80 HDAC8 (0.47) EPHX2TSHRAKT1HDAC8HDAC3
SCHEMBL4780105 0.80 KDM4E (0.51) KDM4ETSHRAKT1ALDH1A1
SCHEMBL4795554 0.79 AKT1 (0.45) EPHX2AKT1HDAC8HDAC3HDAC1
SCHEMBL4772655 0.79 DPP8 (0.48) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL4773483 0.79 MC4R (0.52) TSHRMC4RALDH1A1
SCHEMBL4777079 0.78 LSS (0.56) EPHX2F10AKT1TACR3HDAC8

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 EPHX2 1332/4885KDM4E 107/4885TSHR 3750/4885

“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.