SCHEMBL4776568

SCHEMBL4776568

Cc1ccc(Cl)cc1N1CCN(C(=O)C(N)Cc2ccsc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 9/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
USP2 O75604 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.47
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
MC1R Q01726 1/20 0.46
AKT1 P31749 4/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL4773546 0.87 MC4R (0.61) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4793769 0.85 MAPT (0.57) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4775178 0.84 AKT1 (0.58) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4778157 0.83 AKT1 (0.56) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4779235 0.82 MAPT (0.52) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4794360 0.82 MC4R (0.56) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4778359 0.82 GRM5 (0.51) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4778512 0.82 MC4R (0.58) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4793962 0.82 AKT1 (0.59) MC4RMEN1KMT2AUSP2ALDH1A1
SCHEMBL4909061 0.81 MC4R (0.68) MC4RMEN1KMT2AUSP2ALDH1A1

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 MC4R 1782/4885MEN1 1807/4885KMT2A 41/4885

“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.