Sugi Predict

Sugi Predict / Compounds / SCHEMBL4772281

SCHEMBL4772281

SCHEMBL4772281

NC(Cc1ccc(-c2ccccc2)s1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CACNA2D1 P54289 2/20 0.46
▸ CACNA1B Q00975 2/20 0.46
▸ CACNB1 Q02641 2/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ DPP8 Q6V1X1 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MAOB P27338 1/20 0.45
▸ CTSC P53634 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ USP2 O75604 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL4776801 0.93 DPP8 (0.54) NPSR1MAPTCACNA2D1CACNA1BCACNB1
SCHEMBL4773302 0.92 CACNA2D1 (0.50) KMT2ANPSR1MAPTLMNATP53
SCHEMBL4779295 0.91 NAMPT (0.50) KMT2ANPSR1MAPTLMNATP53
SCHEMBL4779241 0.89 CACNA2D1 (0.48) KMT2ACACNA2D1CACNA1BCACNB1CACNA1H
SCHEMBL4793528 0.87 ALDH1A1 (0.52) KMT2ANPSR1MAPTLMNATP53
SCHEMBL4779208 0.86 DPP8 (0.47) KMT2ACACNA2D1CACNA1BCACNB1CACNA1H
SCHEMBL4774505 0.85 CACNA2D1 (0.50) KMT2ANPSR1MAPTCACNA2D1CACNA1B
SCHEMBL4772655 0.83 DPP8 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CDPP8
SCHEMBL4901052 0.83 DPP8 (0.46) KMT2ACACNA2D1CACNA1BCACNB1CACNA1H
SCHEMBL4793339 0.82 EPHX2 (0.45) KMT2ANPSR1CACNA2D1CACNA1BCACNB1

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 KMT2A 41/4885NPSR1 2149/4885MAPT 1165/4885

“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.