SCHEMBL4773356

SCHEMBL4773356

NC(Cc1cccc(Cl)c1)C(=O)N1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.69
TSHR P16473 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
AKT1 P31749 1/20 0.53
AKT2 P31751 1/20 0.53
AKT3 Q9Y243 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ATM Q13315 1/20 0.52
FAAH O00519 2/20 0.51
SIGMAR1 Q99720 1/20 0.50
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 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
SCHEMBL4779239 0.91 HDAC8 (0.58) HDAC8TSHRCYP2D6CYP2C9ALOX15
SCHEMBL4772341 0.89 FAAH (0.61) HDAC8TSHRCYP2D6CYP2C9ALOX15
SCHEMBL4778032 0.88 HDAC8 (0.56) HDAC8TSHRCYP2D6CYP2C9ALOX15
SCHEMBL4775039 0.86 HDAC8 (0.59) HDAC8TSHRAKT1AKT2AKT3
SCHEMBL4772832 0.85 CYP2D6 (0.53) HDAC8TSHRCYP2D6CYP2C9ALOX15
SCHEMBL4779237 0.85 FAAH (0.54) HDAC8TSHRCYP2D6CYP2C9ALOX15
SCHEMBL17549802 0.82 HDAC8 (1.00) HDAC8TSHRAKT1AKT2AKT3
SCHEMBL19887507 0.82 HDAC8 (1.00) HDAC8TSHRAKT1AKT2AKT3
SCHEMBL4909543 0.82 HDAC8 (1.00) HDAC8TSHRAKT1AKT2AKT3
SCHEMBL25222625 0.81 HDAC8 (0.67) HDAC8AKT1AKT2AKT3HTT

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 16/4885TSHR 3750/4885CYP2D6 1838/4885

“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.