SCHEMBL4775433

SCHEMBL4775433

CC(=S)OC(Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CHRM1 P11229 5/20 0.53
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNA1C Q13936 1/20 0.48
NPC1 O15118 1/20 0.47
MGLL Q99685 1/20 0.47
ATM Q13315 1/20 0.47
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL4776603 0.79 KMT2A (0.60) KMT2ACHRM1ALDH1A1MAPTMEN1
SCHEMBL4770779 0.76 CHRM1 (0.58) KMT2ACHRM1ALDH1A1MAPTMEN1
SCHEMBL27723065 0.76 KMT2A (0.57) KMT2ACHRM1ALDH1A1MAPTMEN1
SCHEMBL10862172 0.73 KMT2A (0.52) KMT2AALDH1A1MAPTHTTLMNA
SCHEMBL10862179 0.73 KMT2A (0.52) KMT2AALDH1A1MAPTHTTLMNA
SCHEMBL29321595 0.72 KMT2A (0.71) KMT2ACHRM1ALDH1A1MAPTLMNA
SCHEMBL4778274 0.72 DPP4 (0.61) KMT2ACHRM1MAPTCACNA1HCACNA2D1
SCHEMBL13994872 0.72 KMT2A (1.00) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL29165109 0.72 HSD17B10 (0.63) CHRM1ALDH1A1HTTGAA
SCHEMBL29165106 0.72 HSD17B10 (0.63) CHRM1ALDH1A1HTTGAA

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 41/4885CHRM1 557/4885ALDH1A1 1068/4885

“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.